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Data publication with the structural biology data grid supports live analysis

Identifieur interne : 000144 ( Pmc/Curation ); précédent : 000143; suivant : 000145

Data publication with the structural biology data grid supports live analysis

Auteurs : Peter A. Meyer [États-Unis] ; Stephanie Socias [États-Unis] ; Jason Key [États-Unis] ; Elizabeth Ransey [États-Unis] ; Emily C. Tjon [États-Unis] ; Alejandro Buschiazzo [Uruguay, France] ; Ming Lei [République populaire de Chine] ; Chris Botka [États-Unis] ; James Withrow [États-Unis] ; David Neau [États-Unis] ; Kanagalaghatta Rajashankar [États-Unis] ; Karen S. Anderson [États-Unis] ; Richard H. Baxter [États-Unis] ; Stephen C. Blacklow [États-Unis] ; Titus J. Boggon [États-Unis] ; Alexandre M. J. J. Bonvin [Pays-Bas] ; Dominika Borek [États-Unis] ; Tom J. Brett [États-Unis] ; Amedeo Caflisch [Suisse] ; Chung-I Chang [Taïwan] ; Walter J. Chazin [États-Unis] ; Kevin D. Corbett [États-Unis] ; Michael S. Cosgrove [États-Unis] ; Sean Crosson [États-Unis] ; Sirano Dhe-Paganon [États-Unis] ; Enrico Di Cera [États-Unis] ; Catherine L. Drennan [États-Unis] ; Michael J. Eck [États-Unis] ; Brandt F. Eichman [États-Unis] ; Qing R. Fan [États-Unis] ; Adrian R. Ferré-D'Amaré [États-Unis] ; J. Christopher Fromme [États-Unis] ; K. Christopher Garcia [États-Unis] ; Rachelle Gaudet [États-Unis] ; Peng Gong [République populaire de Chine] ; Stephen C. Harrison [États-Unis] ; Ekaterina E. Heldwein [États-Unis] ; Zongchao Jia [Canada] ; Robert J. Keenan [États-Unis] ; Andrew C. Kruse [États-Unis] ; Marc Kvansakul [Australie] ; Jason S. Mclellan [États-Unis] ; Yorgo Modis [Royaume-Uni] ; Yunsun Nam [États-Unis] ; Zbyszek Otwinowski [États-Unis] ; Emil F. Pai [Canada] ; Pedro José Barbosa Pereira [Portugal] ; Carlo Petosa [France] ; C. S. Raman [États-Unis] ; Tom A. Rapoport [États-Unis] ; Antonina Roll-Mecak [États-Unis] ; Michael K. Rosen [États-Unis] ; Gabby Rudenko [États-Unis] ; Joseph Schlessinger [États-Unis] ; Thomas U. Schwartz [États-Unis] ; Yousif Shamoo [États-Unis] ; Holger Sondermann [États-Unis] ; Yizhi J. Tao [États-Unis] ; Niraj H. Tolia [États-Unis] ; Oleg V. Tsodikov [États-Unis] ; Kenneth D. Westover [États-Unis] ; Hao Wu [États-Unis] ; Ian Foster [États-Unis] ; James S. Fraser [États-Unis] ; Filipe R. N C. Maia [Suède, États-Unis] ; Tamir Gonen [États-Unis] ; Tom Kirchhausen [États-Unis] ; Kay Diederichs [Allemagne] ; Mercè Crosas [États-Unis] ; Piotr Sliz [États-Unis]

Source :

RBID : PMC:4786681

Abstract

Access to experimental X-ray diffraction image data is fundamental for validation and reproduction of macromolecular models and indispensable for development of structural biology processing methods. Here, we established a diffraction data publication and dissemination system, Structural Biology Data Grid (SBDG; data.sbgrid.org), to preserve primary experimental data sets that support scientific publications. Data sets are accessible to researchers through a community driven data grid, which facilitates global data access. Our analysis of a pilot collection of crystallographic data sets demonstrates that the information archived by SBDG is sufficient to reprocess data to statistics that meet or exceed the quality of the original published structures. SBDG has extended its services to the entire community and is used to develop support for other types of biomedical data sets. It is anticipated that access to the experimental data sets will enhance the paradigm shift in the community towards a much more dynamic body of continuously improving data analysis.


Url:
DOI: 10.1038/ncomms10882
PubMed: 26947396
PubMed Central: 4786681

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PMC:4786681

Le document en format XML

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<name sortKey="Dhe Paganon, Sirano" sort="Dhe Paganon, Sirano" uniqKey="Dhe Paganon S" first="Sirano" last="Dhe-Paganon">Sirano Dhe-Paganon</name>
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<name sortKey="Eichman, Brandt F" sort="Eichman, Brandt F" uniqKey="Eichman B" first="Brandt F." last="Eichman">Brandt F. Eichman</name>
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<name sortKey="Fan, Qing R" sort="Fan, Qing R" uniqKey="Fan Q" first="Qing R." last="Fan">Qing R. Fan</name>
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<name sortKey="Christopher Fromme, J" sort="Christopher Fromme, J" uniqKey="Christopher Fromme J" first="J." last="Christopher Fromme">J. Christopher Fromme</name>
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<name sortKey="Garcia, K Christopher" sort="Garcia, K Christopher" uniqKey="Garcia K" first="K. Christopher" last="Garcia">K. Christopher Garcia</name>
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<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<name sortKey="Gaudet, Rachelle" sort="Gaudet, Rachelle" uniqKey="Gaudet R" first="Rachelle" last="Gaudet">Rachelle Gaudet</name>
<affiliation wicri:level="1">
<nlm:aff id="a29">
<institution>Department of Molecular and Cellular Biology, Harvard University</institution>
, Cambridge, Massachusetts 02138,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Gong, Peng" sort="Gong, Peng" uniqKey="Gong P" first="Peng" last="Gong">Peng Gong</name>
<affiliation wicri:level="1">
<nlm:aff id="a30">
<institution>Key Laboratory of Special Pathogens and Biosafety, Wuhan Institute of Virology, Chinese Academy of Sciences</institution>
, Wuhan 430071,
<country>China</country>
</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Harrison, Stephen C" sort="Harrison, Stephen C" uniqKey="Harrison S" first="Stephen C." last="Harrison">Stephen C. Harrison</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a31">
<institution>Howard Hughes Medical Institute, Harvard Medical School</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a32">
<institution>Laboratory of Molecular Medicine, Boston Children's Hospital, Harvard Medical School</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Heldwein, Ekaterina E" sort="Heldwein, Ekaterina E" uniqKey="Heldwein E" first="Ekaterina E." last="Heldwein">Ekaterina E. Heldwein</name>
<affiliation wicri:level="1">
<nlm:aff id="a33">
<institution>Department of Molecular Biology and Microbiology, Tufts University School of Medicine</institution>
, Boston, Massachusetts 02111,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Jia, Zongchao" sort="Jia, Zongchao" uniqKey="Jia Z" first="Zongchao" last="Jia">Zongchao Jia</name>
<affiliation wicri:level="1">
<nlm:aff id="a34">
<institution>Department of Biomedical and Molecular Sciences, Queen's University</institution>
, Kingston, Ontario,
<country>Canada</country>
K7M 3G5</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Keenan, Robert J" sort="Keenan, Robert J" uniqKey="Keenan R" first="Robert J." last="Keenan">Robert J. Keenan</name>
<affiliation wicri:level="1">
<nlm:aff id="a18">
<institution>Department of Biochemistry and Molecular Biology, University of Chicago</institution>
, Chicago, Illinois 60637,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Kruse, Andrew C" sort="Kruse, Andrew C" uniqKey="Kruse A" first="Andrew C." last="Kruse">Andrew C. Kruse</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Kvansakul, Marc" sort="Kvansakul, Marc" uniqKey="Kvansakul M" first="Marc" last="Kvansakul">Marc Kvansakul</name>
<affiliation wicri:level="1">
<nlm:aff id="a35">
<institution>Department of Biochemistry and Genetics, La Trobe University</institution>
, Melbourne, Victoria 3086,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Mclellan, Jason S" sort="Mclellan, Jason S" uniqKey="Mclellan J" first="Jason S." last="Mclellan">Jason S. Mclellan</name>
<affiliation wicri:level="1">
<nlm:aff id="a36">
<institution>Department of Biochemistry, Geisel School of Medicine at Dartmouth</institution>
, Hanover, New Hampshire 03755,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Modis, Yorgo" sort="Modis, Yorgo" uniqKey="Modis Y" first="Yorgo" last="Modis">Yorgo Modis</name>
<affiliation wicri:level="1">
<nlm:aff id="a37">
<institution>Department of Medicine, University of Cambridge, MRC Laboratory of Molecular Biology</institution>
, Francis Crick Avenue, Cambridge CB2 0QH,
<country>UK</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Nam, Yunsun" sort="Nam, Yunsun" uniqKey="Nam Y" first="Yunsun" last="Nam">Yunsun Nam</name>
<affiliation wicri:level="1">
<nlm:aff id="a38">
<institution>University of Texas, Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Otwinowski, Zbyszek" sort="Otwinowski, Zbyszek" uniqKey="Otwinowski Z" first="Zbyszek" last="Otwinowski">Zbyszek Otwinowski</name>
<affiliation wicri:level="1">
<nlm:aff id="a10">
<institution>Departments of Biophysics and Biochemistry, University of Texas Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Pai, Emil F" sort="Pai, Emil F" uniqKey="Pai E" first="Emil F." last="Pai">Emil F. Pai</name>
<affiliation wicri:level="1">
<nlm:aff id="a39">
<institution>Departments of Biochemistry, Medical Biophysics and Molecular Genetics, University of Toronto</institution>
, Toronto, Ontario,
<country>Canada</country>
M5S 1A8</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a40">
<institution>Campbell Family Institute for Cancer Research, Ontario Cancer Institute/University Health Network</institution>
, Toronto, Ontario,
<country>Canada</country>
M5G 2M9</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Pereira, Pedro Jose Barbosa" sort="Pereira, Pedro Jose Barbosa" uniqKey="Pereira P" first="Pedro José Barbosa" last="Pereira">Pedro José Barbosa Pereira</name>
<affiliation wicri:level="1">
<nlm:aff id="a41">
<institution>IBMC—Instituto de Biologia Molecular e Celular and Instituto de Investigação e Inovação em Saúde, Universidade do Porto</institution>
, 4150 Porto,
<country>Portugal</country>
</nlm:aff>
<country xml:lang="fr">Portugal</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Petosa, Carlo" sort="Petosa, Carlo" uniqKey="Petosa C" first="Carlo" last="Petosa">Carlo Petosa</name>
<affiliation wicri:level="1">
<nlm:aff id="a42">
<institution>Université Grenoble Alpes/CNRS/CEA, Institut de Biologie Structurale</institution>
, 38027 Grenoble,
<country>France</country>
</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Raman, C S" sort="Raman, C S" uniqKey="Raman C" first="C. S." last="Raman">C. S. Raman</name>
<affiliation wicri:level="1">
<nlm:aff id="a43">
<institution>Department of Pharmaceutical Sciences, University of Maryland</institution>
, Baltimore, Maryland 21201,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Rapoport, Tom A" sort="Rapoport, Tom A" uniqKey="Rapoport T" first="Tom A." last="Rapoport">Tom A. Rapoport</name>
<affiliation wicri:level="1">
<nlm:aff id="a44">
<institution>Howard Hughes Medical Institute and Harvard Medical School, Department of Cell Biology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Roll Mecak, Antonina" sort="Roll Mecak, Antonina" uniqKey="Roll Mecak A" first="Antonina" last="Roll-Mecak">Antonina Roll-Mecak</name>
<affiliation wicri:level="1">
<nlm:aff id="a45">
<institution>Cell Biology and Biophysics Unit, Porter Neuroscience Research Center, National Institute of Neurological Disorders and Stroke</institution>
, Bethesda, Maryland 20892,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a46">
<institution>National Heart, Lung and Blood Institute</institution>
, Bethesda, Maryland 20892,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Rosen, Michael K" sort="Rosen, Michael K" uniqKey="Rosen M" first="Michael K." last="Rosen">Michael K. Rosen</name>
<affiliation wicri:level="1">
<nlm:aff id="a47">
<institution>Department of Biophysics and Howard Hughes Medical Institute, University of Texas Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Rudenko, Gabby" sort="Rudenko, Gabby" uniqKey="Rudenko G" first="Gabby" last="Rudenko">Gabby Rudenko</name>
<affiliation wicri:level="1">
<nlm:aff id="a48">
<institution>Department of Pharmacology and Toxicology, Sealy Center for Structural Biology and Molecular Biophysics, University of Texas Medical Branch</institution>
, Galveston, Texas 77555,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Schlessinger, Joseph" sort="Schlessinger, Joseph" uniqKey="Schlessinger J" first="Joseph" last="Schlessinger">Joseph Schlessinger</name>
<affiliation wicri:level="1">
<nlm:aff id="a49">
<institution>Department of Pharmacology, Yale University School of Medicine</institution>
, New Haven, Connecticut 06520,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Schwartz, Thomas U" sort="Schwartz, Thomas U" uniqKey="Schwartz T" first="Thomas U." last="Schwartz">Thomas U. Schwartz</name>
<affiliation wicri:level="1">
<nlm:aff id="a50">
<institution>Department of Biology, Massachusetts Institute of Technology</institution>
, Cambridge, Massachusetts 02139,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Shamoo, Yousif" sort="Shamoo, Yousif" uniqKey="Shamoo Y" first="Yousif" last="Shamoo">Yousif Shamoo</name>
<affiliation wicri:level="1">
<nlm:aff id="a51">
<institution>Department of BioSciences, Rice University</institution>
, Houston, Texas 77005,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Sondermann, Holger" sort="Sondermann, Holger" uniqKey="Sondermann H" first="Holger" last="Sondermann">Holger Sondermann</name>
<affiliation wicri:level="1">
<nlm:aff id="a52">
<institution>Department of Molecular Medicine, College of Veterinary Medicine, Cornell University</institution>
, Ithaca, New York 14853,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Tao, Yizhi J" sort="Tao, Yizhi J" uniqKey="Tao Y" first="Yizhi J." last="Tao">Yizhi J. Tao</name>
<affiliation wicri:level="1">
<nlm:aff id="a51">
<institution>Department of BioSciences, Rice University</institution>
, Houston, Texas 77005,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Tolia, Niraj H" sort="Tolia, Niraj H" uniqKey="Tolia N" first="Niraj H." last="Tolia">Niraj H. Tolia</name>
<affiliation wicri:level="1">
<nlm:aff id="a53">
<institution>Department of Molecular Microbiology, Washington University School of Medicine</institution>
, St Louis, Missouri 63110,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Tsodikov, Oleg V" sort="Tsodikov, Oleg V" uniqKey="Tsodikov O" first="Oleg V." last="Tsodikov">Oleg V. Tsodikov</name>
<affiliation wicri:level="1">
<nlm:aff id="a54">
<institution>Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky</institution>
, Lexington, Kentucky 40536,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Westover, Kenneth D" sort="Westover, Kenneth D" uniqKey="Westover K" first="Kenneth D." last="Westover">Kenneth D. Westover</name>
<affiliation wicri:level="1">
<nlm:aff id="a55">
<institution>Departments of Biochemistry and Radiation Oncology, University of Texas, Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Wu, Hao" sort="Wu, Hao" uniqKey="Wu H" first="Hao" last="Wu">Hao Wu</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a56">
<institution>Program in Cellular and Molecular Medicine, Boston Children's Hospital</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Foster, Ian" sort="Foster, Ian" uniqKey="Foster I" first="Ian" last="Foster">Ian Foster</name>
<affiliation wicri:level="1">
<nlm:aff id="a57">
<institution>Mathematics and Computer Science Division, Argonne National Laboratory, Argonne, Illinois, and Department of Computer Science, University of Chicago</institution>
, Chicago, Illinois 60637,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Fraser, James S" sort="Fraser, James S" uniqKey="Fraser J" first="James S." last="Fraser">James S. Fraser</name>
<affiliation wicri:level="1">
<nlm:aff id="a58">
<institution>Department of Bioengineering and Therapeutic Sciences, University of California San Francisco</institution>
, San Francisco, California 94158,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Maia, Filipe R N C" sort="Maia, Filipe R N C" uniqKey="Maia F" first="Filipe R. N C." last="Maia">Filipe R. N C. Maia</name>
<affiliation wicri:level="1">
<nlm:aff id="a59">
<institution>Laboratory of Molecular Biophysics, Department of Cell and Molecular Biology, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,
<country>Sweden</country>
</nlm:aff>
<country xml:lang="fr">Suède</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a60">
<institution>NERSC, Lawrence Berkeley National Laboratory</institution>
, Berkeley, California 94720,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Gonen, Tamir" sort="Gonen, Tamir" uniqKey="Gonen T" first="Tamir" last="Gonen">Tamir Gonen</name>
<affiliation wicri:level="1">
<nlm:aff id="a61">
<institution>Janelia Research Campus, Howard Hughes Medical Institute</institution>
, Ashburn, Virginia 20147
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Kirchhausen, Tom" sort="Kirchhausen, Tom" uniqKey="Kirchhausen T" first="Tom" last="Kirchhausen">Tom Kirchhausen</name>
<affiliation wicri:level="1">
<nlm:aff id="a62">
<institution>Program in Cellular and Molecular Medicine and Department of Pediatrics, Boston Children's Hospital</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a63">
<institution>Departments of Cell Biology, Harvard Medical School</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Diederichs, Kay" sort="Diederichs, Kay" uniqKey="Diederichs K" first="Kay" last="Diederichs">Kay Diederichs</name>
<affiliation wicri:level="1">
<nlm:aff id="a64">
<institution>Department of Biology, University of Konstanz</institution>
, D-78457 Konstanz,
<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Crosas, Merce" sort="Crosas, Merce" uniqKey="Crosas M" first="Mercè" last="Crosas">Mercè Crosas</name>
<affiliation wicri:level="1">
<nlm:aff id="a65">
<institution>Institute for Quantitative Social Science, Harvard University</institution>
, Cambridge, Massachusetts, 02138,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Sliz, Piotr" sort="Sliz, Piotr" uniqKey="Sliz P" first="Piotr" last="Sliz">Piotr Sliz</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
</titleStmt>
<publicationStmt>
<idno type="wicri:source">PMC</idno>
<idno type="pmid">26947396</idno>
<idno type="pmc">4786681</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4786681</idno>
<idno type="RBID">PMC:4786681</idno>
<idno type="doi">10.1038/ncomms10882</idno>
<date when="2016">2016</date>
<idno type="wicri:Area/Pmc/Corpus">000144</idno>
<idno type="wicri:Area/Pmc/Curation">000144</idno>
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<analytic>
<title xml:lang="en" level="a" type="main">Data publication with the structural biology data grid supports live analysis</title>
<author>
<name sortKey="Meyer, Peter A" sort="Meyer, Peter A" uniqKey="Meyer P" first="Peter A." last="Meyer">Peter A. Meyer</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
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<author>
<name sortKey="Socias, Stephanie" sort="Socias, Stephanie" uniqKey="Socias S" first="Stephanie" last="Socias">Stephanie Socias</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Key, Jason" sort="Key, Jason" uniqKey="Key J" first="Jason" last="Key">Jason Key</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Ransey, Elizabeth" sort="Ransey, Elizabeth" uniqKey="Ransey E" first="Elizabeth" last="Ransey">Elizabeth Ransey</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Tjon, Emily C" sort="Tjon, Emily C" uniqKey="Tjon E" first="Emily C." last="Tjon">Emily C. Tjon</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Buschiazzo, Alejandro" sort="Buschiazzo, Alejandro" uniqKey="Buschiazzo A" first="Alejandro" last="Buschiazzo">Alejandro Buschiazzo</name>
<affiliation wicri:level="1">
<nlm:aff id="a2">
<institution>Laboratory of Molecular & Structural Microbiology, Institut Pasteur de Montevideo</institution>
, Montevideo 11400,
<country>Uruguay</country>
</nlm:aff>
<country xml:lang="fr">Uruguay</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a3">
<institution>Department of Structural Biology & Chemistry, Institut Pasteur</institution>
, 75015 Paris,
<country>France</country>
</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Lei, Ming" sort="Lei, Ming" uniqKey="Lei M" first="Ming" last="Lei">Ming Lei</name>
<affiliation wicri:level="1">
<nlm:aff id="a4">
<institution>Institute of Biochemistry and Cell Biology, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences</institution>
, Shanghai 200031,
<country>China</country>
</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Botka, Chris" sort="Botka, Chris" uniqKey="Botka C" first="Chris" last="Botka">Chris Botka</name>
<affiliation wicri:level="1">
<nlm:aff id="a5">
<institution>Harvard Medical School</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Withrow, James" sort="Withrow, James" uniqKey="Withrow J" first="James" last="Withrow">James Withrow</name>
<affiliation wicri:level="1">
<nlm:aff id="a6">
<institution>NE-CAT and Department of Chemistry and Chemical Biology, Cornell University</institution>
, Building 436E, Argonne National Laboratory, 9700S. Cass Avenue, Argonne, Illinois 60439,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Neau, David" sort="Neau, David" uniqKey="Neau D" first="David" last="Neau">David Neau</name>
<affiliation wicri:level="1">
<nlm:aff id="a6">
<institution>NE-CAT and Department of Chemistry and Chemical Biology, Cornell University</institution>
, Building 436E, Argonne National Laboratory, 9700S. Cass Avenue, Argonne, Illinois 60439,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Rajashankar, Kanagalaghatta" sort="Rajashankar, Kanagalaghatta" uniqKey="Rajashankar K" first="Kanagalaghatta" last="Rajashankar">Kanagalaghatta Rajashankar</name>
<affiliation wicri:level="1">
<nlm:aff id="a6">
<institution>NE-CAT and Department of Chemistry and Chemical Biology, Cornell University</institution>
, Building 436E, Argonne National Laboratory, 9700S. Cass Avenue, Argonne, Illinois 60439,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Anderson, Karen S" sort="Anderson, Karen S" uniqKey="Anderson K" first="Karen S." last="Anderson">Karen S. Anderson</name>
<affiliation wicri:level="1">
<nlm:aff id="a7">
<institution>Departments of Pharmacology and Molecular Biophysics and Biochemistry, Yale University School of Medicine</institution>
, New Haven, Connecticut 06520,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Baxter, Richard H" sort="Baxter, Richard H" uniqKey="Baxter R" first="Richard H." last="Baxter">Richard H. Baxter</name>
<affiliation wicri:level="1">
<nlm:aff id="a8">
<institution>Department of Chemistry, Molecular Biophysics and Biochemistry, Yale University</institution>
, New Haven, Connecticut 06520,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Blacklow, Stephen C" sort="Blacklow, Stephen C" uniqKey="Blacklow S" first="Stephen C." last="Blacklow">Stephen C. Blacklow</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Boggon, Titus J" sort="Boggon, Titus J" uniqKey="Boggon T" first="Titus J." last="Boggon">Titus J. Boggon</name>
<affiliation wicri:level="1">
<nlm:aff id="a7">
<institution>Departments of Pharmacology and Molecular Biophysics and Biochemistry, Yale University School of Medicine</institution>
, New Haven, Connecticut 06520,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Bonvin, Alexandre M J J" sort="Bonvin, Alexandre M J J" uniqKey="Bonvin A" first="Alexandre M. J. J." last="Bonvin">Alexandre M. J. J. Bonvin</name>
<affiliation wicri:level="1">
<nlm:aff id="a9">
<institution>Bijvoet Center, Faculty of Science, Utrecht University</institution>
, 3584 CH Utrecht,
<country>The Netherlands</country>
</nlm:aff>
<country xml:lang="fr">Pays-Bas</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Borek, Dominika" sort="Borek, Dominika" uniqKey="Borek D" first="Dominika" last="Borek">Dominika Borek</name>
<affiliation wicri:level="1">
<nlm:aff id="a10">
<institution>Departments of Biophysics and Biochemistry, University of Texas Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Brett, Tom J" sort="Brett, Tom J" uniqKey="Brett T" first="Tom J." last="Brett">Tom J. Brett</name>
<affiliation wicri:level="1">
<nlm:aff id="a11">
<institution>Department of Internal Medicine, Washington University School of Medicine</institution>
, St Louis, Missouri 63110,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Caflisch, Amedeo" sort="Caflisch, Amedeo" uniqKey="Caflisch A" first="Amedeo" last="Caflisch">Amedeo Caflisch</name>
<affiliation wicri:level="1">
<nlm:aff id="a12">
<institution>Department of Biochemistry, University of Zurich</institution>
, CH-8057 Zurich,
<country>Switzerland</country>
</nlm:aff>
<country xml:lang="fr">Suisse</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Chang, Chung I" sort="Chang, Chung I" uniqKey="Chang C" first="Chung-I" last="Chang">Chung-I Chang</name>
<affiliation wicri:level="1">
<nlm:aff id="a13">
<institution>Institute of Biological Chemistry, Academia Sinica</institution>
, Taipei 11529,
<country>Taiwan</country>
</nlm:aff>
<country xml:lang="fr">Taïwan</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Chazin, Walter J" sort="Chazin, Walter J" uniqKey="Chazin W" first="Walter J." last="Chazin">Walter J. Chazin</name>
<affiliation wicri:level="1">
<nlm:aff id="a14">
<institution>Departments of Biochemistry and Chemistry, Center for Structural Biology, Vanderbilt University</institution>
, Nashville, Tennessee 37232,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Corbett, Kevin D" sort="Corbett, Kevin D" uniqKey="Corbett K" first="Kevin D." last="Corbett">Kevin D. Corbett</name>
<affiliation wicri:level="1">
<nlm:aff id="a15">
<institution>Ludwig Institute for Cancer Research, San Diego Branch</institution>
, La Jolla, California 92093,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a16">
<institution>Department of Cellular and Molecular Medicine, University of California, San Diego</institution>
, La Jolla, California 92093,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Cosgrove, Michael S" sort="Cosgrove, Michael S" uniqKey="Cosgrove M" first="Michael S." last="Cosgrove">Michael S. Cosgrove</name>
<affiliation wicri:level="1">
<nlm:aff id="a17">
<institution>Department of Biochemistry and Molecular Biology, SUNY Upstate Medical University</institution>
, Syracuse, New York 13210,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Crosson, Sean" sort="Crosson, Sean" uniqKey="Crosson S" first="Sean" last="Crosson">Sean Crosson</name>
<affiliation wicri:level="1">
<nlm:aff id="a18">
<institution>Department of Biochemistry and Molecular Biology, University of Chicago</institution>
, Chicago, Illinois 60637,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Dhe Paganon, Sirano" sort="Dhe Paganon, Sirano" uniqKey="Dhe Paganon S" first="Sirano" last="Dhe-Paganon">Sirano Dhe-Paganon</name>
<affiliation wicri:level="1">
<nlm:aff id="a19">
<institution>Department of Cancer Biology, Dana-Farber Cancer Institute</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Di Cera, Enrico" sort="Di Cera, Enrico" uniqKey="Di Cera E" first="Enrico" last="Di Cera">Enrico Di Cera</name>
<affiliation wicri:level="1">
<nlm:aff id="a20">
<institution>Edward A. Doisy Department of Biochemistry and Molecular Biology, Saint Louis University School of Medicine</institution>
, St Louis, Missouri 63104,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Drennan, Catherine L" sort="Drennan, Catherine L" uniqKey="Drennan C" first="Catherine L." last="Drennan">Catherine L. Drennan</name>
<affiliation wicri:level="1">
<nlm:aff id="a21">
<institution>Departments of Chemistry and Biology and the Howard Hughes Medical Institute, Massachusetts Institute of Technology</institution>
, Cambridge, Massachusetts 02139,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Eck, Michael J" sort="Eck, Michael J" uniqKey="Eck M" first="Michael J." last="Eck">Michael J. Eck</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a19">
<institution>Department of Cancer Biology, Dana-Farber Cancer Institute</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Eichman, Brandt F" sort="Eichman, Brandt F" uniqKey="Eichman B" first="Brandt F." last="Eichman">Brandt F. Eichman</name>
<affiliation wicri:level="1">
<nlm:aff id="a22">
<institution>Department of Biological Sciences and Center for Structural Biology, Vanderbilt University</institution>
, Nashville, Tennessee 37235,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Fan, Qing R" sort="Fan, Qing R" uniqKey="Fan Q" first="Qing R." last="Fan">Qing R. Fan</name>
<affiliation wicri:level="1">
<nlm:aff id="a23">
<institution>Departments of Pharmacology and Pathology and Cell Biology, Columbia University</institution>
, New York, New York 10032,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Ferre D Amare, Adrian R" sort="Ferre D Amare, Adrian R" uniqKey="Ferre D Amare A" first="Adrian R." last="Ferré-D'Amaré">Adrian R. Ferré-D'Amaré</name>
<affiliation wicri:level="1">
<nlm:aff id="a24">
<institution>Laboratory of RNA Biophysics, National Heart, Lung and Blood Institute, NIH</institution>
, Bethesda, Maryland 20892,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Christopher Fromme, J" sort="Christopher Fromme, J" uniqKey="Christopher Fromme J" first="J." last="Christopher Fromme">J. Christopher Fromme</name>
<affiliation wicri:level="1">
<nlm:aff id="a25">
<institution>Department of Molecular Biology and Genetics, Weill Institute for Cell and Molecular Biology, Cornell University</institution>
, Ithaca, New York 14853,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Garcia, K Christopher" sort="Garcia, K Christopher" uniqKey="Garcia K" first="K. Christopher" last="Garcia">K. Christopher Garcia</name>
<affiliation wicri:level="1">
<nlm:aff id="a26">
<institution>Howard Hughes Medical Institute, Stanford University School of Medicine</institution>
, Stanford, California 94305,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a27">
<institution>Department of Molecular and Cellular Physiology, Stanford University School of Medicine</institution>
, Stanford, California 94305,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a28">
<institution>Department of Structural Biology, Stanford University School of Medicine</institution>
, Stanford, California 94305,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Gaudet, Rachelle" sort="Gaudet, Rachelle" uniqKey="Gaudet R" first="Rachelle" last="Gaudet">Rachelle Gaudet</name>
<affiliation wicri:level="1">
<nlm:aff id="a29">
<institution>Department of Molecular and Cellular Biology, Harvard University</institution>
, Cambridge, Massachusetts 02138,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Gong, Peng" sort="Gong, Peng" uniqKey="Gong P" first="Peng" last="Gong">Peng Gong</name>
<affiliation wicri:level="1">
<nlm:aff id="a30">
<institution>Key Laboratory of Special Pathogens and Biosafety, Wuhan Institute of Virology, Chinese Academy of Sciences</institution>
, Wuhan 430071,
<country>China</country>
</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Harrison, Stephen C" sort="Harrison, Stephen C" uniqKey="Harrison S" first="Stephen C." last="Harrison">Stephen C. Harrison</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a31">
<institution>Howard Hughes Medical Institute, Harvard Medical School</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a32">
<institution>Laboratory of Molecular Medicine, Boston Children's Hospital, Harvard Medical School</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Heldwein, Ekaterina E" sort="Heldwein, Ekaterina E" uniqKey="Heldwein E" first="Ekaterina E." last="Heldwein">Ekaterina E. Heldwein</name>
<affiliation wicri:level="1">
<nlm:aff id="a33">
<institution>Department of Molecular Biology and Microbiology, Tufts University School of Medicine</institution>
, Boston, Massachusetts 02111,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Jia, Zongchao" sort="Jia, Zongchao" uniqKey="Jia Z" first="Zongchao" last="Jia">Zongchao Jia</name>
<affiliation wicri:level="1">
<nlm:aff id="a34">
<institution>Department of Biomedical and Molecular Sciences, Queen's University</institution>
, Kingston, Ontario,
<country>Canada</country>
K7M 3G5</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Keenan, Robert J" sort="Keenan, Robert J" uniqKey="Keenan R" first="Robert J." last="Keenan">Robert J. Keenan</name>
<affiliation wicri:level="1">
<nlm:aff id="a18">
<institution>Department of Biochemistry and Molecular Biology, University of Chicago</institution>
, Chicago, Illinois 60637,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Kruse, Andrew C" sort="Kruse, Andrew C" uniqKey="Kruse A" first="Andrew C." last="Kruse">Andrew C. Kruse</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Kvansakul, Marc" sort="Kvansakul, Marc" uniqKey="Kvansakul M" first="Marc" last="Kvansakul">Marc Kvansakul</name>
<affiliation wicri:level="1">
<nlm:aff id="a35">
<institution>Department of Biochemistry and Genetics, La Trobe University</institution>
, Melbourne, Victoria 3086,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Mclellan, Jason S" sort="Mclellan, Jason S" uniqKey="Mclellan J" first="Jason S." last="Mclellan">Jason S. Mclellan</name>
<affiliation wicri:level="1">
<nlm:aff id="a36">
<institution>Department of Biochemistry, Geisel School of Medicine at Dartmouth</institution>
, Hanover, New Hampshire 03755,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Modis, Yorgo" sort="Modis, Yorgo" uniqKey="Modis Y" first="Yorgo" last="Modis">Yorgo Modis</name>
<affiliation wicri:level="1">
<nlm:aff id="a37">
<institution>Department of Medicine, University of Cambridge, MRC Laboratory of Molecular Biology</institution>
, Francis Crick Avenue, Cambridge CB2 0QH,
<country>UK</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Nam, Yunsun" sort="Nam, Yunsun" uniqKey="Nam Y" first="Yunsun" last="Nam">Yunsun Nam</name>
<affiliation wicri:level="1">
<nlm:aff id="a38">
<institution>University of Texas, Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Otwinowski, Zbyszek" sort="Otwinowski, Zbyszek" uniqKey="Otwinowski Z" first="Zbyszek" last="Otwinowski">Zbyszek Otwinowski</name>
<affiliation wicri:level="1">
<nlm:aff id="a10">
<institution>Departments of Biophysics and Biochemistry, University of Texas Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Pai, Emil F" sort="Pai, Emil F" uniqKey="Pai E" first="Emil F." last="Pai">Emil F. Pai</name>
<affiliation wicri:level="1">
<nlm:aff id="a39">
<institution>Departments of Biochemistry, Medical Biophysics and Molecular Genetics, University of Toronto</institution>
, Toronto, Ontario,
<country>Canada</country>
M5S 1A8</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a40">
<institution>Campbell Family Institute for Cancer Research, Ontario Cancer Institute/University Health Network</institution>
, Toronto, Ontario,
<country>Canada</country>
M5G 2M9</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Pereira, Pedro Jose Barbosa" sort="Pereira, Pedro Jose Barbosa" uniqKey="Pereira P" first="Pedro José Barbosa" last="Pereira">Pedro José Barbosa Pereira</name>
<affiliation wicri:level="1">
<nlm:aff id="a41">
<institution>IBMC—Instituto de Biologia Molecular e Celular and Instituto de Investigação e Inovação em Saúde, Universidade do Porto</institution>
, 4150 Porto,
<country>Portugal</country>
</nlm:aff>
<country xml:lang="fr">Portugal</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Petosa, Carlo" sort="Petosa, Carlo" uniqKey="Petosa C" first="Carlo" last="Petosa">Carlo Petosa</name>
<affiliation wicri:level="1">
<nlm:aff id="a42">
<institution>Université Grenoble Alpes/CNRS/CEA, Institut de Biologie Structurale</institution>
, 38027 Grenoble,
<country>France</country>
</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Raman, C S" sort="Raman, C S" uniqKey="Raman C" first="C. S." last="Raman">C. S. Raman</name>
<affiliation wicri:level="1">
<nlm:aff id="a43">
<institution>Department of Pharmaceutical Sciences, University of Maryland</institution>
, Baltimore, Maryland 21201,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Rapoport, Tom A" sort="Rapoport, Tom A" uniqKey="Rapoport T" first="Tom A." last="Rapoport">Tom A. Rapoport</name>
<affiliation wicri:level="1">
<nlm:aff id="a44">
<institution>Howard Hughes Medical Institute and Harvard Medical School, Department of Cell Biology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Roll Mecak, Antonina" sort="Roll Mecak, Antonina" uniqKey="Roll Mecak A" first="Antonina" last="Roll-Mecak">Antonina Roll-Mecak</name>
<affiliation wicri:level="1">
<nlm:aff id="a45">
<institution>Cell Biology and Biophysics Unit, Porter Neuroscience Research Center, National Institute of Neurological Disorders and Stroke</institution>
, Bethesda, Maryland 20892,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a46">
<institution>National Heart, Lung and Blood Institute</institution>
, Bethesda, Maryland 20892,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Rosen, Michael K" sort="Rosen, Michael K" uniqKey="Rosen M" first="Michael K." last="Rosen">Michael K. Rosen</name>
<affiliation wicri:level="1">
<nlm:aff id="a47">
<institution>Department of Biophysics and Howard Hughes Medical Institute, University of Texas Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Rudenko, Gabby" sort="Rudenko, Gabby" uniqKey="Rudenko G" first="Gabby" last="Rudenko">Gabby Rudenko</name>
<affiliation wicri:level="1">
<nlm:aff id="a48">
<institution>Department of Pharmacology and Toxicology, Sealy Center for Structural Biology and Molecular Biophysics, University of Texas Medical Branch</institution>
, Galveston, Texas 77555,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Schlessinger, Joseph" sort="Schlessinger, Joseph" uniqKey="Schlessinger J" first="Joseph" last="Schlessinger">Joseph Schlessinger</name>
<affiliation wicri:level="1">
<nlm:aff id="a49">
<institution>Department of Pharmacology, Yale University School of Medicine</institution>
, New Haven, Connecticut 06520,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Schwartz, Thomas U" sort="Schwartz, Thomas U" uniqKey="Schwartz T" first="Thomas U." last="Schwartz">Thomas U. Schwartz</name>
<affiliation wicri:level="1">
<nlm:aff id="a50">
<institution>Department of Biology, Massachusetts Institute of Technology</institution>
, Cambridge, Massachusetts 02139,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Shamoo, Yousif" sort="Shamoo, Yousif" uniqKey="Shamoo Y" first="Yousif" last="Shamoo">Yousif Shamoo</name>
<affiliation wicri:level="1">
<nlm:aff id="a51">
<institution>Department of BioSciences, Rice University</institution>
, Houston, Texas 77005,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Sondermann, Holger" sort="Sondermann, Holger" uniqKey="Sondermann H" first="Holger" last="Sondermann">Holger Sondermann</name>
<affiliation wicri:level="1">
<nlm:aff id="a52">
<institution>Department of Molecular Medicine, College of Veterinary Medicine, Cornell University</institution>
, Ithaca, New York 14853,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Tao, Yizhi J" sort="Tao, Yizhi J" uniqKey="Tao Y" first="Yizhi J." last="Tao">Yizhi J. Tao</name>
<affiliation wicri:level="1">
<nlm:aff id="a51">
<institution>Department of BioSciences, Rice University</institution>
, Houston, Texas 77005,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Tolia, Niraj H" sort="Tolia, Niraj H" uniqKey="Tolia N" first="Niraj H." last="Tolia">Niraj H. Tolia</name>
<affiliation wicri:level="1">
<nlm:aff id="a53">
<institution>Department of Molecular Microbiology, Washington University School of Medicine</institution>
, St Louis, Missouri 63110,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Tsodikov, Oleg V" sort="Tsodikov, Oleg V" uniqKey="Tsodikov O" first="Oleg V." last="Tsodikov">Oleg V. Tsodikov</name>
<affiliation wicri:level="1">
<nlm:aff id="a54">
<institution>Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky</institution>
, Lexington, Kentucky 40536,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Westover, Kenneth D" sort="Westover, Kenneth D" uniqKey="Westover K" first="Kenneth D." last="Westover">Kenneth D. Westover</name>
<affiliation wicri:level="1">
<nlm:aff id="a55">
<institution>Departments of Biochemistry and Radiation Oncology, University of Texas, Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Wu, Hao" sort="Wu, Hao" uniqKey="Wu H" first="Hao" last="Wu">Hao Wu</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a56">
<institution>Program in Cellular and Molecular Medicine, Boston Children's Hospital</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Foster, Ian" sort="Foster, Ian" uniqKey="Foster I" first="Ian" last="Foster">Ian Foster</name>
<affiliation wicri:level="1">
<nlm:aff id="a57">
<institution>Mathematics and Computer Science Division, Argonne National Laboratory, Argonne, Illinois, and Department of Computer Science, University of Chicago</institution>
, Chicago, Illinois 60637,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Fraser, James S" sort="Fraser, James S" uniqKey="Fraser J" first="James S." last="Fraser">James S. Fraser</name>
<affiliation wicri:level="1">
<nlm:aff id="a58">
<institution>Department of Bioengineering and Therapeutic Sciences, University of California San Francisco</institution>
, San Francisco, California 94158,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Maia, Filipe R N C" sort="Maia, Filipe R N C" uniqKey="Maia F" first="Filipe R. N C." last="Maia">Filipe R. N C. Maia</name>
<affiliation wicri:level="1">
<nlm:aff id="a59">
<institution>Laboratory of Molecular Biophysics, Department of Cell and Molecular Biology, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,
<country>Sweden</country>
</nlm:aff>
<country xml:lang="fr">Suède</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a60">
<institution>NERSC, Lawrence Berkeley National Laboratory</institution>
, Berkeley, California 94720,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Gonen, Tamir" sort="Gonen, Tamir" uniqKey="Gonen T" first="Tamir" last="Gonen">Tamir Gonen</name>
<affiliation wicri:level="1">
<nlm:aff id="a61">
<institution>Janelia Research Campus, Howard Hughes Medical Institute</institution>
, Ashburn, Virginia 20147
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Kirchhausen, Tom" sort="Kirchhausen, Tom" uniqKey="Kirchhausen T" first="Tom" last="Kirchhausen">Tom Kirchhausen</name>
<affiliation wicri:level="1">
<nlm:aff id="a62">
<institution>Program in Cellular and Molecular Medicine and Department of Pediatrics, Boston Children's Hospital</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="a63">
<institution>Departments of Cell Biology, Harvard Medical School</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Diederichs, Kay" sort="Diederichs, Kay" uniqKey="Diederichs K" first="Kay" last="Diederichs">Kay Diederichs</name>
<affiliation wicri:level="1">
<nlm:aff id="a64">
<institution>Department of Biology, University of Konstanz</institution>
, D-78457 Konstanz,
<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Crosas, Merce" sort="Crosas, Merce" uniqKey="Crosas M" first="Mercè" last="Crosas">Mercè Crosas</name>
<affiliation wicri:level="1">
<nlm:aff id="a65">
<institution>Institute for Quantitative Social Science, Harvard University</institution>
, Cambridge, Massachusetts, 02138,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Sliz, Piotr" sort="Sliz, Piotr" uniqKey="Sliz P" first="Piotr" last="Sliz">Piotr Sliz</name>
<affiliation wicri:level="1">
<nlm:aff id="a1">
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
</analytic>
<series>
<title level="j">Nature Communications</title>
<idno type="eISSN">2041-1723</idno>
<imprint>
<date when="2016">2016</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc>
<textClass></textClass>
</profileDesc>
</teiHeader>
<front>
<div type="abstract" xml:lang="en">
<p>Access to experimental X-ray diffraction image data is fundamental for validation and reproduction of macromolecular models and indispensable for development of structural biology processing methods. Here, we established a diffraction data publication and dissemination system, Structural Biology Data Grid (SBDG; data.sbgrid.org), to preserve primary experimental data sets that support scientific publications. Data sets are accessible to researchers through a community driven data grid, which facilitates global data access. Our analysis of a pilot collection of crystallographic data sets demonstrates that the information archived by SBDG is sufficient to reprocess data to statistics that meet or exceed the quality of the original published structures. SBDG has extended its services to the entire community and is used to develop support for other types of biomedical data sets. It is anticipated that access to the experimental data sets will enhance the paradigm shift in the community towards a much more dynamic body of continuously improving data analysis.</p>
</div>
</front>
<back>
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<surname>Kvansakul</surname>
<given-names>Marc</given-names>
</name>
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</contrib>
<contrib contrib-type="author">
<name>
<surname>McLellan</surname>
<given-names>Jason S.</given-names>
</name>
<xref ref-type="aff" rid="a36">36</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Modis</surname>
<given-names>Yorgo</given-names>
</name>
<xref ref-type="aff" rid="a37">37</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Nam</surname>
<given-names>Yunsun</given-names>
</name>
<xref ref-type="aff" rid="a38">38</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Otwinowski</surname>
<given-names>Zbyszek</given-names>
</name>
<xref ref-type="aff" rid="a10">10</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Pai</surname>
<given-names>Emil F.</given-names>
</name>
<xref ref-type="aff" rid="a39">39</xref>
<xref ref-type="aff" rid="a40">40</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Pereira</surname>
<given-names>Pedro José Barbosa</given-names>
</name>
<xref ref-type="aff" rid="a41">41</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Petosa</surname>
<given-names>Carlo</given-names>
</name>
<xref ref-type="aff" rid="a42">42</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Raman</surname>
<given-names>C. S.</given-names>
</name>
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</contrib>
<contrib contrib-type="author">
<name>
<surname>Rapoport</surname>
<given-names>Tom A.</given-names>
</name>
<xref ref-type="aff" rid="a44">44</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Roll-Mecak</surname>
<given-names>Antonina</given-names>
</name>
<xref ref-type="aff" rid="a45">45</xref>
<xref ref-type="aff" rid="a46">46</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Rosen</surname>
<given-names>Michael K.</given-names>
</name>
<xref ref-type="aff" rid="a47">47</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Rudenko</surname>
<given-names>Gabby</given-names>
</name>
<xref ref-type="aff" rid="a48">48</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Schlessinger</surname>
<given-names>Joseph</given-names>
</name>
<xref ref-type="aff" rid="a49">49</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Schwartz</surname>
<given-names>Thomas U.</given-names>
</name>
<xref ref-type="aff" rid="a50">50</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Shamoo</surname>
<given-names>Yousif</given-names>
</name>
<xref ref-type="aff" rid="a51">51</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Sondermann</surname>
<given-names>Holger</given-names>
</name>
<xref ref-type="aff" rid="a52">52</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Tao</surname>
<given-names>Yizhi J.</given-names>
</name>
<xref ref-type="aff" rid="a51">51</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Tolia</surname>
<given-names>Niraj H.</given-names>
</name>
<xref ref-type="aff" rid="a53">53</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Tsodikov</surname>
<given-names>Oleg V.</given-names>
</name>
<xref ref-type="aff" rid="a54">54</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Westover</surname>
<given-names>Kenneth D.</given-names>
</name>
<xref ref-type="aff" rid="a55">55</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Wu</surname>
<given-names>Hao</given-names>
</name>
<xref ref-type="aff" rid="a1">1</xref>
<xref ref-type="aff" rid="a56">56</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Foster</surname>
<given-names>Ian</given-names>
</name>
<xref ref-type="aff" rid="a57">57</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Fraser</surname>
<given-names>James S.</given-names>
</name>
<xref ref-type="aff" rid="a58">58</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Maia</surname>
<given-names>Filipe R. N C.</given-names>
</name>
<xref ref-type="aff" rid="a59">59</xref>
<xref ref-type="aff" rid="a60">60</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Gonen</surname>
<given-names>Tamir</given-names>
</name>
<xref ref-type="aff" rid="a61">61</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Kirchhausen</surname>
<given-names>Tom</given-names>
</name>
<xref ref-type="aff" rid="a62">62</xref>
<xref ref-type="aff" rid="a63">63</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Diederichs</surname>
<given-names>Kay</given-names>
</name>
<xref ref-type="aff" rid="a64">64</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Crosas</surname>
<given-names>Mercè</given-names>
</name>
<xref ref-type="aff" rid="a65">65</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Sliz</surname>
<given-names>Piotr</given-names>
</name>
<xref ref-type="corresp" rid="c1">a</xref>
<xref ref-type="aff" rid="a1">1</xref>
</contrib>
<aff id="a1">
<label>1</label>
<institution>Department of Biological Chemistry and Molecular Pharmacology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</aff>
<aff id="a2">
<label>2</label>
<institution>Laboratory of Molecular & Structural Microbiology, Institut Pasteur de Montevideo</institution>
, Montevideo 11400,
<country>Uruguay</country>
</aff>
<aff id="a3">
<label>3</label>
<institution>Department of Structural Biology & Chemistry, Institut Pasteur</institution>
, 75015 Paris,
<country>France</country>
</aff>
<aff id="a4">
<label>4</label>
<institution>Institute of Biochemistry and Cell Biology, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences</institution>
, Shanghai 200031,
<country>China</country>
</aff>
<aff id="a5">
<label>5</label>
<institution>Harvard Medical School</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</aff>
<aff id="a6">
<label>6</label>
<institution>NE-CAT and Department of Chemistry and Chemical Biology, Cornell University</institution>
, Building 436E, Argonne National Laboratory, 9700S. Cass Avenue, Argonne, Illinois 60439,
<country>USA</country>
</aff>
<aff id="a7">
<label>7</label>
<institution>Departments of Pharmacology and Molecular Biophysics and Biochemistry, Yale University School of Medicine</institution>
, New Haven, Connecticut 06520,
<country>USA</country>
</aff>
<aff id="a8">
<label>8</label>
<institution>Department of Chemistry, Molecular Biophysics and Biochemistry, Yale University</institution>
, New Haven, Connecticut 06520,
<country>USA</country>
</aff>
<aff id="a9">
<label>9</label>
<institution>Bijvoet Center, Faculty of Science, Utrecht University</institution>
, 3584 CH Utrecht,
<country>The Netherlands</country>
</aff>
<aff id="a10">
<label>10</label>
<institution>Departments of Biophysics and Biochemistry, University of Texas Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</aff>
<aff id="a11">
<label>11</label>
<institution>Department of Internal Medicine, Washington University School of Medicine</institution>
, St Louis, Missouri 63110,
<country>USA</country>
</aff>
<aff id="a12">
<label>12</label>
<institution>Department of Biochemistry, University of Zurich</institution>
, CH-8057 Zurich,
<country>Switzerland</country>
</aff>
<aff id="a13">
<label>13</label>
<institution>Institute of Biological Chemistry, Academia Sinica</institution>
, Taipei 11529,
<country>Taiwan</country>
</aff>
<aff id="a14">
<label>14</label>
<institution>Departments of Biochemistry and Chemistry, Center for Structural Biology, Vanderbilt University</institution>
, Nashville, Tennessee 37232,
<country>USA</country>
</aff>
<aff id="a15">
<label>15</label>
<institution>Ludwig Institute for Cancer Research, San Diego Branch</institution>
, La Jolla, California 92093,
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</aff>
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<label>16</label>
<institution>Department of Cellular and Molecular Medicine, University of California, San Diego</institution>
, La Jolla, California 92093,
<country>USA</country>
</aff>
<aff id="a17">
<label>17</label>
<institution>Department of Biochemistry and Molecular Biology, SUNY Upstate Medical University</institution>
, Syracuse, New York 13210,
<country>USA</country>
</aff>
<aff id="a18">
<label>18</label>
<institution>Department of Biochemistry and Molecular Biology, University of Chicago</institution>
, Chicago, Illinois 60637,
<country>USA</country>
</aff>
<aff id="a19">
<label>19</label>
<institution>Department of Cancer Biology, Dana-Farber Cancer Institute</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</aff>
<aff id="a20">
<label>20</label>
<institution>Edward A. Doisy Department of Biochemistry and Molecular Biology, Saint Louis University School of Medicine</institution>
, St Louis, Missouri 63104,
<country>USA</country>
</aff>
<aff id="a21">
<label>21</label>
<institution>Departments of Chemistry and Biology and the Howard Hughes Medical Institute, Massachusetts Institute of Technology</institution>
, Cambridge, Massachusetts 02139,
<country>USA</country>
</aff>
<aff id="a22">
<label>22</label>
<institution>Department of Biological Sciences and Center for Structural Biology, Vanderbilt University</institution>
, Nashville, Tennessee 37235,
<country>USA</country>
</aff>
<aff id="a23">
<label>23</label>
<institution>Departments of Pharmacology and Pathology and Cell Biology, Columbia University</institution>
, New York, New York 10032,
<country>USA</country>
</aff>
<aff id="a24">
<label>24</label>
<institution>Laboratory of RNA Biophysics, National Heart, Lung and Blood Institute, NIH</institution>
, Bethesda, Maryland 20892,
<country>USA</country>
</aff>
<aff id="a25">
<label>25</label>
<institution>Department of Molecular Biology and Genetics, Weill Institute for Cell and Molecular Biology, Cornell University</institution>
, Ithaca, New York 14853,
<country>USA</country>
</aff>
<aff id="a26">
<label>26</label>
<institution>Howard Hughes Medical Institute, Stanford University School of Medicine</institution>
, Stanford, California 94305,
<country>USA</country>
</aff>
<aff id="a27">
<label>27</label>
<institution>Department of Molecular and Cellular Physiology, Stanford University School of Medicine</institution>
, Stanford, California 94305,
<country>USA</country>
</aff>
<aff id="a28">
<label>28</label>
<institution>Department of Structural Biology, Stanford University School of Medicine</institution>
, Stanford, California 94305,
<country>USA</country>
</aff>
<aff id="a29">
<label>29</label>
<institution>Department of Molecular and Cellular Biology, Harvard University</institution>
, Cambridge, Massachusetts 02138,
<country>USA</country>
</aff>
<aff id="a30">
<label>30</label>
<institution>Key Laboratory of Special Pathogens and Biosafety, Wuhan Institute of Virology, Chinese Academy of Sciences</institution>
, Wuhan 430071,
<country>China</country>
</aff>
<aff id="a31">
<label>31</label>
<institution>Howard Hughes Medical Institute, Harvard Medical School</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</aff>
<aff id="a32">
<label>32</label>
<institution>Laboratory of Molecular Medicine, Boston Children's Hospital, Harvard Medical School</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</aff>
<aff id="a33">
<label>33</label>
<institution>Department of Molecular Biology and Microbiology, Tufts University School of Medicine</institution>
, Boston, Massachusetts 02111,
<country>USA</country>
</aff>
<aff id="a34">
<label>34</label>
<institution>Department of Biomedical and Molecular Sciences, Queen's University</institution>
, Kingston, Ontario,
<country>Canada</country>
K7M 3G5</aff>
<aff id="a35">
<label>35</label>
<institution>Department of Biochemistry and Genetics, La Trobe University</institution>
, Melbourne, Victoria 3086,
<country>Australia</country>
</aff>
<aff id="a36">
<label>36</label>
<institution>Department of Biochemistry, Geisel School of Medicine at Dartmouth</institution>
, Hanover, New Hampshire 03755,
<country>USA</country>
</aff>
<aff id="a37">
<label>37</label>
<institution>Department of Medicine, University of Cambridge, MRC Laboratory of Molecular Biology</institution>
, Francis Crick Avenue, Cambridge CB2 0QH,
<country>UK</country>
</aff>
<aff id="a38">
<label>38</label>
<institution>University of Texas, Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</aff>
<aff id="a39">
<label>39</label>
<institution>Departments of Biochemistry, Medical Biophysics and Molecular Genetics, University of Toronto</institution>
, Toronto, Ontario,
<country>Canada</country>
M5S 1A8</aff>
<aff id="a40">
<label>40</label>
<institution>Campbell Family Institute for Cancer Research, Ontario Cancer Institute/University Health Network</institution>
, Toronto, Ontario,
<country>Canada</country>
M5G 2M9</aff>
<aff id="a41">
<label>41</label>
<institution>IBMC—Instituto de Biologia Molecular e Celular and Instituto de Investigação e Inovação em Saúde, Universidade do Porto</institution>
, 4150 Porto,
<country>Portugal</country>
</aff>
<aff id="a42">
<label>42</label>
<institution>Université Grenoble Alpes/CNRS/CEA, Institut de Biologie Structurale</institution>
, 38027 Grenoble,
<country>France</country>
</aff>
<aff id="a43">
<label>43</label>
<institution>Department of Pharmaceutical Sciences, University of Maryland</institution>
, Baltimore, Maryland 21201,
<country>USA</country>
</aff>
<aff id="a44">
<label>44</label>
<institution>Howard Hughes Medical Institute and Harvard Medical School, Department of Cell Biology</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</aff>
<aff id="a45">
<label>45</label>
<institution>Cell Biology and Biophysics Unit, Porter Neuroscience Research Center, National Institute of Neurological Disorders and Stroke</institution>
, Bethesda, Maryland 20892,
<country>USA</country>
</aff>
<aff id="a46">
<label>46</label>
<institution>National Heart, Lung and Blood Institute</institution>
, Bethesda, Maryland 20892,
<country>USA</country>
</aff>
<aff id="a47">
<label>47</label>
<institution>Department of Biophysics and Howard Hughes Medical Institute, University of Texas Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</aff>
<aff id="a48">
<label>48</label>
<institution>Department of Pharmacology and Toxicology, Sealy Center for Structural Biology and Molecular Biophysics, University of Texas Medical Branch</institution>
, Galveston, Texas 77555,
<country>USA</country>
</aff>
<aff id="a49">
<label>49</label>
<institution>Department of Pharmacology, Yale University School of Medicine</institution>
, New Haven, Connecticut 06520,
<country>USA</country>
</aff>
<aff id="a50">
<label>50</label>
<institution>Department of Biology, Massachusetts Institute of Technology</institution>
, Cambridge, Massachusetts 02139,
<country>USA</country>
</aff>
<aff id="a51">
<label>51</label>
<institution>Department of BioSciences, Rice University</institution>
, Houston, Texas 77005,
<country>USA</country>
</aff>
<aff id="a52">
<label>52</label>
<institution>Department of Molecular Medicine, College of Veterinary Medicine, Cornell University</institution>
, Ithaca, New York 14853,
<country>USA</country>
</aff>
<aff id="a53">
<label>53</label>
<institution>Department of Molecular Microbiology, Washington University School of Medicine</institution>
, St Louis, Missouri 63110,
<country>USA</country>
</aff>
<aff id="a54">
<label>54</label>
<institution>Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky</institution>
, Lexington, Kentucky 40536,
<country>USA</country>
</aff>
<aff id="a55">
<label>55</label>
<institution>Departments of Biochemistry and Radiation Oncology, University of Texas, Southwestern Medical Center</institution>
, Dallas, Texas 75390,
<country>USA</country>
</aff>
<aff id="a56">
<label>56</label>
<institution>Program in Cellular and Molecular Medicine, Boston Children's Hospital</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</aff>
<aff id="a57">
<label>57</label>
<institution>Mathematics and Computer Science Division, Argonne National Laboratory, Argonne, Illinois, and Department of Computer Science, University of Chicago</institution>
, Chicago, Illinois 60637,
<country>USA</country>
</aff>
<aff id="a58">
<label>58</label>
<institution>Department of Bioengineering and Therapeutic Sciences, University of California San Francisco</institution>
, San Francisco, California 94158,
<country>USA</country>
</aff>
<aff id="a59">
<label>59</label>
<institution>Laboratory of Molecular Biophysics, Department of Cell and Molecular Biology, Uppsala University</institution>
, Husargatan 3 (Box 596), SE-751 24 Uppsala,
<country>Sweden</country>
</aff>
<aff id="a60">
<label>60</label>
<institution>NERSC, Lawrence Berkeley National Laboratory</institution>
, Berkeley, California 94720,
<country>USA</country>
</aff>
<aff id="a61">
<label>61</label>
<institution>Janelia Research Campus, Howard Hughes Medical Institute</institution>
, Ashburn, Virginia 20147
<country>USA</country>
</aff>
<aff id="a62">
<label>62</label>
<institution>Program in Cellular and Molecular Medicine and Department of Pediatrics, Boston Children's Hospital</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</aff>
<aff id="a63">
<label>63</label>
<institution>Departments of Cell Biology, Harvard Medical School</institution>
, Boston, Massachusetts 02115,
<country>USA</country>
</aff>
<aff id="a64">
<label>64</label>
<institution>Department of Biology, University of Konstanz</institution>
, D-78457 Konstanz,
<country>Germany</country>
</aff>
<aff id="a65">
<label>65</label>
<institution>Institute for Quantitative Social Science, Harvard University</institution>
, Cambridge, Massachusetts, 02138,
<country>USA</country>
</aff>
</contrib-group>
<author-notes>
<corresp id="c1">
<label>a</label>
<email>sliz@hkl.hms.harvard.edu</email>
</corresp>
</author-notes>
<pub-date pub-type="epub">
<day>07</day>
<month>03</month>
<year>2016</year>
</pub-date>
<pub-date pub-type="collection">
<year>2016</year>
</pub-date>
<volume>7</volume>
<elocation-id>10882</elocation-id>
<history>
<date date-type="received">
<day>16</day>
<month>10</month>
<year>2015</year>
</date>
<date date-type="accepted">
<day>28</day>
<month>01</month>
<year>2016</year>
</date>
</history>
<permissions>
<copyright-statement>Copyright © 2016, Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved.</copyright-statement>
<copyright-year>2016</copyright-year>
<copyright-holder>Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved.</copyright-holder>
<license license-type="open-access" xlink:href="http://creativecommons.org/licenses/by/4.0/">
<pmc-comment>author-paid</pmc-comment>
<license-p>This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit
<ext-link ext-link-type="uri" xlink:href="http://creativecommons.org/licenses/by/4.0/">http://creativecommons.org/licenses/by/4.0/</ext-link>
</license-p>
</license>
</permissions>
<abstract>
<p>Access to experimental X-ray diffraction image data is fundamental for validation and reproduction of macromolecular models and indispensable for development of structural biology processing methods. Here, we established a diffraction data publication and dissemination system, Structural Biology Data Grid (SBDG; data.sbgrid.org), to preserve primary experimental data sets that support scientific publications. Data sets are accessible to researchers through a community driven data grid, which facilitates global data access. Our analysis of a pilot collection of crystallographic data sets demonstrates that the information archived by SBDG is sufficient to reprocess data to statistics that meet or exceed the quality of the original published structures. SBDG has extended its services to the entire community and is used to develop support for other types of biomedical data sets. It is anticipated that access to the experimental data sets will enhance the paradigm shift in the community towards a much more dynamic body of continuously improving data analysis.</p>
</abstract>
<abstract abstract-type="web-summary">
<p>
<inline-graphic id="i1" xlink:href="ncomms10882-i1.jpg"></inline-graphic>
The validation and analysis of X-ray crystallographic data is essential for reproducibility and the development of crystallographic methods. Here, the authors describe a repository for crystallographic datasets and demonstrate some of the ways it could serve the crystallographic community.</p>
</abstract>
</article-meta>
</front>
<floats-group>
<fig id="f1">
<label>Figure 1</label>
<caption>
<title>Data collection statistics for the pilot subset of 112 data sets.</title>
<p>(
<bold>a</bold>
,
<bold>b</bold>
) Data sets were collected from synchrotrons on four continents (in addition to laboratory sources, which are not broken down geographically) and originate from eleven synchrotron facilities: Advanced Light Source, Advanced Photon Source, Australian Synchrotron, Cornell High Energy Synchrotron Source, Canadian Light Source, European Synchrotron Radiation Facility, National Synchrotron Light Source, National Synchrotron Radiation Research Center, Swiss Light Source, Shanghai Synchrotron Radiation Facility, and Stanford Synchrotron Radiation Lightsource. World map image courtesy of the U.S. Geological Survey. (
<bold>c</bold>
) Breakdown of data sets collected at the Advanced Photon Source beamlines. (
<bold>d</bold>
) Data sets cover a range of detector types, including Area Detector Systems Corporation M300, Q210 and Q315, Rayonix MarMosaic, Dectris Pilatus 2M and 6M, R-AXIS HTC, and MAR345.</p>
</caption>
<graphic xlink:href="ncomms10882-f1"></graphic>
</fig>
<fig id="f2">
<label>Figure 2</label>
<caption>
<title>Estimation of storage requirements for different stages of the structural biology pipeline, based on the SBDG pilot collection.</title>
<p>For structure factor amplitudes and PDB models file sizes were obtained from a subset of 96 PDB depositions derived from the pilot data sets. On average, SBDG stores 1.26 data sets per PDB file. Numbers in red indicated the estimated storage requirements to accommodate data sets for 100,000 structures. We estimate that for each primary data set, additional 100 data sets are collected at national facilities. Primary data refers to original experimental diffraction images supporting the derived structural model, as distinguished from all experimental data (screening images, inferior quality data sets, and so on). For crystallographic experiments, reduced data refers to the integrated intensities (or amplitudes, which do not materially affect storage requirements).</p>
</caption>
<graphic xlink:href="ncomms10882-f2"></graphic>
</fig>
<fig id="f3">
<label>Figure 3</label>
<caption>
<title>Organized display of data collections at SBDG.</title>
<p>(
<bold>a</bold>
) Graphical view of Laboratory and Institutional Collections within the SBDG; (
<bold>b</bold>
) PV structure viewer, displaying a published model with links to its two primary deposited data sets.</p>
</caption>
<graphic xlink:href="ncomms10882-f3"></graphic>
</fig>
<fig id="f4">
<label>Figure 4</label>
<caption>
<title>SBDG persistent data set landing page (the target of a DOI resolver for a published data set).</title>
<p>Data set metadata are displayed, as are instructions for downloading and verifying the data set.</p>
</caption>
<graphic xlink:href="ncomms10882-f4"></graphic>
</fig>
<fig id="f5">
<label>Figure 5</label>
<caption>
<title>Experimental data flow and publication.</title>
<p>(
<bold>a</bold>
) Flow of Primary Experimental Data. Data sets collected at synchrotrons are moved to end-users' computers for processing and structure determination. Subsequently refined macromolecular models are deposited at PDB and primary data is uploaded to SBDG. From SBDG, data sets are replicated to DAA centres and eventually copied to DAA Satellites. End-users can access data sets by downloading from DAA centres and by direct access from Satellites. (
<bold>b</bold>
) Flowchart for data publication.</p>
</caption>
<graphic xlink:href="ncomms10882-f5"></graphic>
</fig>
<fig id="f6">
<label>Figure 6</label>
<caption>
<title>DataCite metadata schema used for primary data sets within the SBDG.</title>
<p>Information associated with the DOI record for a primary data set through the EZID system.</p>
</caption>
<graphic xlink:href="ncomms10882-f6"></graphic>
</fig>
<fig id="f7">
<label>Figure 7</label>
<caption>
<title>Data publication guidelines.</title>
<p>(
<bold>a</bold>
) Flowchart illustrating publication guidelines incorporating software and data citations. (
<bold>b</bold>
) Data Citation guidelines, adapted from Dataverse Best Practices Guidelines that were developed based on Force 11 Joint Declaration of Data Citation Principles.</p>
</caption>
<graphic xlink:href="ncomms10882-f7"></graphic>
</fig>
<fig id="f8">
<label>Figure 8</label>
<caption>
<title>Reprocessing of X-ray diffraction data sets.</title>
<p>(
<bold>a</bold>
) Analysis of 110 X-ray diffraction data sets that supported previously published PDB coordinates. Most of the failures (represented in red) were due to inaccurate or incomplete image-header information. In several of these cases, depositors provided annotations correcting this information; (
<bold>b</bold>
) Comparison of resolution determined by automated
<italic>xia2</italic>
reprocessing with published resolution. Includes data sets not used for final refinement of published structures; (
<bold>c</bold>
) Shift in direct beam position from image headers and refined value following successful reprocessing with
<italic>xia2</italic>
.</p>
</caption>
<graphic xlink:href="ncomms10882-f8"></graphic>
</fig>
<table-wrap position="float" id="t1">
<label>Table 1</label>
<caption>
<title>Data science standards.</title>
</caption>
<table frame="hsides" rules="groups" border="1">
<colgroup>
<col align="left"></col>
<col align="left"></col>
</colgroup>
<tbody valign="top">
<tr>
<td align="left" valign="top" charoff="50">Disclosure</td>
<td align="left" valign="top" charoff="50">Software tools developed under this program will be incorporated into open source software and released to the community. Manuscripts and white papers describing various phases of the project will be released on a regular basis.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">Adoption</td>
<td align="left" valign="top" charoff="50">All biomedical image data will be converted to the master formats, such as OME-TIFF or HDF5. Community tools to create, analyse, and manipulate diffraction images will be extended to include support for these formats. All biomedical data are assigned Digital Object Identifiers through the CDL EZID system, and follow modified DataCite and Dataverse metadata schemas. Associated metadata are registered with the International DOI Foundation, making it virtually permanent and independent of SBGrid and Harvard computing infrastructure. All data sets published through the SBDG will be citable using Force 11 recommendations.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">Transparency</td>
<td align="left" valign="top" charoff="50">Files within individual data sets will be deposited in their original format (no archives or encryption allowed). Self-documentation: The majority of diffraction data sets are self-documented and include the basic information required for reprocessing in the images themselves. Additional information will be collected during deposition and will include data set representation (the ability to use the data to be processed), reference (relation to PDB files, publications, and other data sets), context (for example, a native data set or a derivative used for phasing), fixity (checksums), and provenance (typically the data collection facility and the project member who deposits the original data set). With conversion to master formats, all secondary information will be appended to the image metadata along with all original headers.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">External dependencies</td>
<td align="left" valign="top" charoff="50">The ability to reprocess some older data sets and verify master format conversions could depend on access to a specific version of data processing software. As data sets enter our repository, they will be reprocessed with our Data Reprocessing Pipeline (one of several we will develop as part of our Data Mining Pipelines). Data Reprocessing Pipelines will be archived within our system, issued DOIs, and interlinked with the data sets. It is worth noting that, since 2002, SBGrid has been archiving structural biology applications and, therefore, has access to previous software versions that might be required to reprocess older data sets.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">Licensing</td>
<td align="left" valign="top" charoff="50">Biomedical data sets will be deposited under the Creative Commons Zero licence, supporting future development of data validation services and database replications and migrations.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">Technical protection mechanism</td>
<td align="left" valign="top" charoff="50">The security of the deposited data will be maintained by the DAA. The DAA will join with the Library of Congress sponsored NDSA and the data architect working on the project will ensure that NDSA recommendations are being followed.</td>
</tr>
</tbody>
</table>
<table-wrap-foot>
<fn id="t1-fn1">
<p>NDSA, National Digital Stewardship Alliance; SBDG, Structural Biology Data Grid.</p>
</fn>
</table-wrap-foot>
</table-wrap>
<table-wrap position="float" id="t2">
<label>Table 2</label>
<caption>
<title>Reference subset.</title>
</caption>
<table frame="hsides" rules="groups" border="1">
<colgroup>
<col align="left"></col>
<col align="left"></col>
</colgroup>
<thead valign="bottom">
<tr>
<th align="left" valign="top" charoff="50">
<bold>Data set</bold>
</th>
<th align="left" valign="top" charoff="50">
<bold>Description</bold>
</th>
</tr>
</thead>
<tbody valign="top">
<tr>
<td align="left" valign="top" charoff="50">10.15785/SBGRID/5Boggon LaboratoryReference Case 1:MR/Multi-crystal averaging.</td>
<td align="left" valign="top" charoff="50">Data sets from 5 crystals of SNX17 FERM domain in complex with a peptide corresponding to KRIT1's NPxY2 motif. Separate integration of the data sets and scaling together allows a complete 3.0 Å data set for molecular replacement solution (original paper used 4GXB as a search model) and structure refinement.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50"> </td>
<td> </td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">10.15785/SBGRID/117Baxter LaboratoryReference Case 2:MR/Low resolution, twinned with rotational pseudosymmetry.</td>
<td align="left" valign="top" charoff="50">3.70 Å data set collected on a crystal of thioester-containing protein 1 *S1 allele (TEP1*S1). Initial data processing suggested P4
<sub>3</sub>
2
<sub>1</sub>
2, but one of the two molecules (∼1300 aa. each) in the ASU overlapped with its symmetry-mate. Comparison of alternative scenarios in refinement identified the true space group as
<italic>P</italic>
4
<sub>3</sub>
with twinning and rotational pseudosymmetry. Refinement was completed with TLS, NCS (local) and external restraints derived by
<italic>ProSMART</italic>
<xref ref-type="bibr" rid="b65">65</xref>
using TEP1*R1 (PDB 4D94) as reference.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50"> </td>
<td> </td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">10.15785/SBGRID/62Modis LaboratoryReference case 3:U SAD/Low resolution.</td>
<td align="left" valign="top" charoff="50">4.5 Å data set of a uranyl acetate derivative used for a challenging structure determination by SAD. Certain images had streaky features and were excluded from data reprocessing. The height and definition of peaks in anomalous difference Patterson maps was improved by omitting certain images near the end of the data collection run.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50"> </td>
<td> </td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">10.15785/SBGRID/111 Ferré-D'Amaré LaboratoryReference Case 4:Ba/K SAD; 91 nt RNA-chromophore complex.</td>
<td align="left" valign="top" charoff="50">2.5 Å data set collected at ALS BL 5.0.2 using 6.0 keV X-rays from a crystal of 'Spinach' a fluorescent RNA analogue of GFP. Although anomalous signal was very weak, a heavy atom substructure comprised of one barium and six potassium ions resulted in good quality SAD electron density maps.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50"> </td>
<td> </td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">10.15785/SBGRID/3Sliz LaboratoryReference Case 5:Zn SAD; 4 Zn/ASUprotein/RNA complex.</td>
<td align="left" valign="top" charoff="50">2.9 Å Zn SAD data set was sufficient to determine a crystal structure of Lin28/let-7d protein-microRNA complex. X-ray beam size was adjusted to maximize flux and minimize radiation damage. One swapped-dimer is located in each asymmetric unit. Two native zinc atoms are located in each tandem CCHC zinc knuckles domain.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50"> </td>
<td> </td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">10.15785/SBGRID/123Heldwein LaboratoryReference Case 6:3.29-Å SeMet SAD9 Se/ASU</td>
<td align="left" valign="top" charoff="50">This 3.29-Å selenomethionine SAD data set, collected at 0.9789 Å wavelength at BNL X25 beamline, was sufficient to determine the phases and to trace the structure of HSV-2 gH/gL complex
<xref ref-type="bibr" rid="b66">66</xref>
. There are 9 Se sites in the ASU. During integration in HKL2000, χ
<sup>2</sup>
appeared very large for some sectors of the data set. These correlated with crystal orientation and likely resulted from a large difference in cell edges (
<italic>a</italic>
=
<italic>b</italic>
=88 Å versus
<italic>c</italic>
=333 Å).</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50"> </td>
<td> </td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">10.15785.SBGRID/179Schwartz LaboratoryReference Case 7:MR-SAD at 7.0 Å</td>
<td align="left" valign="top" charoff="50">Contaminating
<italic>E.coli</italic>
protein 4FCC_A, acting as a crystallization chaperone, was found readily by MR. Using these MR phases seven (Ta
<sub>6</sub>
Br
<sub>12</sub>
)
<sup>2+</sup>
-positions could be found in the 8.8 Å derivative data set 180. The combined MR-SAD phases were sufficient to position two copies of Nup37 (4FHL) and two copies of Nup120 in the asymmetric unit.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50"> </td>
<td> </td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">10.15785/SBGRID/21810.15785/SBGRID/78Rudenko LaboratoryReference Case 8:MR-SAD at 2.65 Å(44 Se atoms/ASU)</td>
<td align="left" valign="top" charoff="50">3.25 Å data set (#218) from a crystal of the selenomethionyl neurexin 1alpha ectodomain and 2.65 Å higher resolution native data set (#78), both collected at APS using multiple settings. The structure has 2 molecules/ASU with a total of 14 ordered domains and ∼2,000 residues. Molecular replacement successfully placed 8 LNS domains (using a single LNS domain as a search model, i.e. ∼9% of the scattering mass) generating phases which could be used to reveal 37 out of 44 Se atoms/ASU in the 3.25 Å SeMet SAD data set. Refinement was completed using data set #78.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">10.15785/SBGRID/9Tao LaboratoryReference case 9:3.25 Å data set used for MR with a 9-Å cryo-EM envelope</td>
<td align="left" valign="top" charoff="50">A 3.25-Å resolution data set was collected at APS LS-CAT. The structure was determined by molecular replacement using a 9-Å resolution cryo-EM reconstruction as a phasing model. Solvent flattening and 15-fold noncrystallographic symmetry averaging were applied during phase extension.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50"> </td>
<td> </td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">10.15785/SBGRID/83Drennan LaboratoryReference Case 10:MR/large unit cell, anisotropic.</td>
<td align="left" valign="top" charoff="50">Diffraction data from different regions of a crystal of Isobutyryl-coenzyme A mutase fused, a 250 kDa dimeric enzyme. This crystal had a large unit cell (
<italic>a</italic>
,
<italic>b</italic>
=319 Å,
<italic>c</italic>
=344 Å) and the data were anisotropic. Separate integration of the 6 wedges with individually adjusted resolution limits and scaling together yields a complete 3.35 Å data set that can be used for molecular replacement.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50"> </td>
<td> </td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">10.15785/SBGRID/125Kruse Laboratory(data collected in Kobilka Laboratory)Reference Case 11:MR, lipidic cubic phase</td>
<td align="left" valign="top" charoff="50">Diffraction data for lipidic cubic phase crystals of human M
<sub>2</sub>
muscarinic acetylcholine receptor bound to the agonist iperoxo, the allosteric modulator LY2119620, and the conformationally-selective nanobody Nb9-8.</td>
</tr>
<tr>
<td align="left" valign="top" charoff="50"> </td>
<td> </td>
</tr>
<tr>
<td align="left" valign="top" charoff="50">DOI:10.15785/SBGRID/68Fraser LaboratoryReference case 12:X-ray diffuse scattering</td>
<td align="left" valign="top" charoff="50">1.2 Å data set collected at SSRL provides a high-resolution standard data set of the enzyme Cyclophilin to examine the influence of data collection temperature to compare with XFEL data, and to measure X-ray diffuse scattering.</td>
</tr>
</tbody>
</table>
<table-wrap-foot>
<fn id="t2-fn1">
<p>MR, molecular replacement; SAD, Single-wavelength Anomalous Diffraction.</p>
</fn>
<fn id="t2-fn2">
<p>12 X-ray diffraction data sets from the SBDG pilot collection were identified as particularly suitable for software testing and teaching activities. In addition, data sets from molecular dynamics, lattice light-sheet microscopy and MicroED represent an invaluable subset.</p>
</fn>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
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