MersV1, Main, Exploration, bibRecord, 003726

Microscopic model of protein crystal growth

Identifieur interne : 003726 ( Main/Exploration ); précédent : 003725; suivant : 003727

Microscopic model of protein crystal growth

Auteurs : Andrzej M. Kierzek [Pologne] ; Piotr Pokarowski [Pologne] ; Piotr Zielenkiewicz [Pologne]

Source :

Biophysical Chemistry [ 0301-4622 ] ; 2000.

RBID : ISTEX:851B6CBA8FB3D7DCC84D4C28E7B0BD52D2117DB6

English descriptors

KwdEn :
- Lattice simulations, Lysozyme, Protein crystallisation.
Teeft :
- Acta cryst, Aggregation, Algorithm, Algorithm simulations, Biophys, Biophysical, Biophysical chemistry, Central molecule, Computer resources, Computer simulations, Critical size, Cryst, Crystal, Crystal environment, Crystal face, Crystal growth, Crystal order, Crystal structure, Crystallisation, Crystallisation conditions, Crystallisation pathways, Crystallisation process, Dimer, Discrete orientational state, Dissociation probability, Early growth stages, Early stages, Electron microscopy, Equilibrium concentration, Experimental data, Feher, Free association energy, Free energy, Free interaction energy, Free monomers, Geometrical constraints, Georgalis, Good sites, Growth curve, Growth pathway, Growth rate, Growth simulations, Growth trajectory, Growth unit, Growth units, Initial complexes, Interaction energies, Interface, Kierzek, Kinetic pathways, Kinetic traps, Kinetics, Large number, Lattice, Lattice simulations, Linear dimension, Lysozyme, Macroscopic, Macroscopic crystal, Macroscopic crystals, Maximal size, Methods enzymol, Microcrystal, Microcrystals, Molecule, Monomer, Neighbouring, Neighbouring nodes, Node, Nucleation, Orientational, Orientational probability, Orientational states, Other molecules, Pathway, Protein crystal growth, Protein crystallisation, Protein crystallization, Protein crystals, Protein molecule, Protein molecules, Protein monomers, Shortest time, Simulation, Single molecules, Size smax, Small complexes, Smax, Surface aggregation, Surface area, Tetragonal, Tetragonal lysozyme crystal, Tetramer, Time step, Timestep, Timesteps, Unit cells, Volume fraction.

Abstract

Abstract: A microscopic, reversible model to study protein crystal nucleation and growth is presented. The probability of monomer attachment to the growing crystal was assumed to be proportional to the protein volume fraction and the orientational factor representing the anisotropy of protein molecules. The rate of detachment depended on the free energy of association of the given monomer in the lattice, as calculated from the buried surface area. The proposed algorithm allowed the simulation of the process of crystal growth from free monomers to complexes having 105 molecules, i.e. microcrystals with already formed faces. These simulations correctly reproduced the crystal morphology of the chosen model system — the tetragonal lysozyme crystal. We predicted the critical size, after which the growth rate rapidly increased to approximately 50 protein monomers. The major factors determining the protein crystallisation kinetics were the geometry of the protein molecules and the resulting number of kinetics traps on the growth pathway.

Url:

https://api.istex.fr/ark:/67375/6H6-8ZMDJLZC-K/fulltext.pdf

DOI: 10.1016/S0301-4622(00)00179-4

Affiliations:

Pologne

Links toward previous steps (curation, corpus...)

to stream Istex, to step Corpus: 001836
to stream Istex, to step Curation: 001836
to stream Istex, to step Checkpoint: 001025
to stream Main, to step Merge: 003768
to stream Main, to step Curation: 003726

Le document en format XML

<record><TEI wicri:istexFullTextTei="biblStruct"><teiHeader><fileDesc><titleStmt><title xml:lang="en">Microscopic model of protein crystal growth</title>
<author><name sortKey="Kierzek, Andrzej M" sort="Kierzek, Andrzej M" uniqKey="Kierzek A" first="Andrzej M." last="Kierzek">Andrzej M. Kierzek</name>
</author>
<author><name sortKey="Pokarowski, Piotr" sort="Pokarowski, Piotr" uniqKey="Pokarowski P" first="Piotr" last="Pokarowski">Piotr Pokarowski</name>
</author>
<author><name sortKey="Zielenkiewicz, Piotr" sort="Zielenkiewicz, Piotr" uniqKey="Zielenkiewicz P" first="Piotr" last="Zielenkiewicz">Piotr Zielenkiewicz</name>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">ISTEX</idno>
<idno type="RBID">ISTEX:851B6CBA8FB3D7DCC84D4C28E7B0BD52D2117DB6</idno>
<date when="2000" year="2000">2000</date>
<idno type="doi">10.1016/S0301-4622(00)00179-4</idno>
<idno type="url">https://api.istex.fr/ark:/67375/6H6-8ZMDJLZC-K/fulltext.pdf</idno>
<idno type="wicri:Area/Istex/Corpus">001836</idno>
<idno type="wicri:explorRef" wicri:stream="Istex" wicri:step="Corpus" wicri:corpus="ISTEX">001836</idno>
<idno type="wicri:Area/Istex/Curation">001836</idno>
<idno type="wicri:Area/Istex/Checkpoint">001025</idno>
<idno type="wicri:explorRef" wicri:stream="Istex" wicri:step="Checkpoint">001025</idno>
<idno type="wicri:doubleKey">0301-4622:2000:Kierzek A:microscopic:model:of</idno>
<idno type="wicri:Area/Main/Merge">003768</idno>
<idno type="wicri:Area/Main/Curation">003726</idno>
<idno type="wicri:Area/Main/Exploration">003726</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title level="a" type="main" xml:lang="en">Microscopic model of protein crystal growth</title>
<author><name sortKey="Kierzek, Andrzej M" sort="Kierzek, Andrzej M" uniqKey="Kierzek A" first="Andrzej M." last="Kierzek">Andrzej M. Kierzek</name>
<affiliation wicri:level="1"><country xml:lang="fr">Pologne</country>
<wicri:regionArea>Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Pawińskiego 5a, 02-106 Warsaw</wicri:regionArea>
<wicri:noRegion>02-106 Warsaw</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Pokarowski, Piotr" sort="Pokarowski, Piotr" uniqKey="Pokarowski P" first="Piotr" last="Pokarowski">Piotr Pokarowski</name>
<affiliation wicri:level="1"><country xml:lang="fr">Pologne</country>
<wicri:regionArea>Institute of Mathematics, Polish Academy of Sciences Śniadeckich 8, 00-950 Warsaw</wicri:regionArea>
<wicri:noRegion>00-950 Warsaw</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Zielenkiewicz, Piotr" sort="Zielenkiewicz, Piotr" uniqKey="Zielenkiewicz P" first="Piotr" last="Zielenkiewicz">Piotr Zielenkiewicz</name>
<affiliation wicri:level="1"><country wicri:rule="url">Pologne</country>
</affiliation>
<affiliation wicri:level="1"><country xml:lang="fr">Pologne</country>
<wicri:regionArea>Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Pawińskiego 5a, 02-106 Warsaw</wicri:regionArea>
<wicri:noRegion>02-106 Warsaw</wicri:noRegion>
</affiliation>
</author>
</analytic>
<monogr></monogr>
<series><title level="j">Biophysical Chemistry</title>
<title level="j" type="abbrev">BIOCHE</title>
<idno type="ISSN">0301-4622</idno>
<imprint><publisher>ELSEVIER</publisher>
<date type="published" when="2000">2000</date>
<biblScope unit="volume">87</biblScope>
<biblScope unit="issue">1</biblScope>
<biblScope unit="page" from="43">43</biblScope>
<biblScope unit="page" to="61">61</biblScope>
</imprint>
<idno type="ISSN">0301-4622</idno>
</series>
</biblStruct>
</sourceDesc>
<seriesStmt><idno type="ISSN">0301-4622</idno>
</seriesStmt>
</fileDesc>
<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Lattice simulations</term>
<term>Lysozyme</term>
<term>Protein crystallisation</term>
</keywords>
<keywords scheme="Teeft" xml:lang="en"><term>Acta cryst</term>
<term>Aggregation</term>
<term>Algorithm</term>
<term>Algorithm simulations</term>
<term>Biophys</term>
<term>Biophysical</term>
<term>Biophysical chemistry</term>
<term>Central molecule</term>
<term>Computer resources</term>
<term>Computer simulations</term>
<term>Critical size</term>
<term>Cryst</term>
<term>Crystal</term>
<term>Crystal environment</term>
<term>Crystal face</term>
<term>Crystal growth</term>
<term>Crystal order</term>
<term>Crystal structure</term>
<term>Crystallisation</term>
<term>Crystallisation conditions</term>
<term>Crystallisation pathways</term>
<term>Crystallisation process</term>
<term>Dimer</term>
<term>Discrete orientational state</term>
<term>Dissociation probability</term>
<term>Early growth stages</term>
<term>Early stages</term>
<term>Electron microscopy</term>
<term>Equilibrium concentration</term>
<term>Experimental data</term>
<term>Feher</term>
<term>Free association energy</term>
<term>Free energy</term>
<term>Free interaction energy</term>
<term>Free monomers</term>
<term>Geometrical constraints</term>
<term>Georgalis</term>
<term>Good sites</term>
<term>Growth curve</term>
<term>Growth pathway</term>
<term>Growth rate</term>
<term>Growth simulations</term>
<term>Growth trajectory</term>
<term>Growth unit</term>
<term>Growth units</term>
<term>Initial complexes</term>
<term>Interaction energies</term>
<term>Interface</term>
<term>Kierzek</term>
<term>Kinetic pathways</term>
<term>Kinetic traps</term>
<term>Kinetics</term>
<term>Large number</term>
<term>Lattice</term>
<term>Lattice simulations</term>
<term>Linear dimension</term>
<term>Lysozyme</term>
<term>Macroscopic</term>
<term>Macroscopic crystal</term>
<term>Macroscopic crystals</term>
<term>Maximal size</term>
<term>Methods enzymol</term>
<term>Microcrystal</term>
<term>Microcrystals</term>
<term>Molecule</term>
<term>Monomer</term>
<term>Neighbouring</term>
<term>Neighbouring nodes</term>
<term>Node</term>
<term>Nucleation</term>
<term>Orientational</term>
<term>Orientational probability</term>
<term>Orientational states</term>
<term>Other molecules</term>
<term>Pathway</term>
<term>Protein crystal growth</term>
<term>Protein crystallisation</term>
<term>Protein crystallization</term>
<term>Protein crystals</term>
<term>Protein molecule</term>
<term>Protein molecules</term>
<term>Protein monomers</term>
<term>Shortest time</term>
<term>Simulation</term>
<term>Single molecules</term>
<term>Size smax</term>
<term>Small complexes</term>
<term>Smax</term>
<term>Surface aggregation</term>
<term>Surface area</term>
<term>Tetragonal</term>
<term>Tetragonal lysozyme crystal</term>
<term>Tetramer</term>
<term>Time step</term>
<term>Timestep</term>
<term>Timesteps</term>
<term>Unit cells</term>
<term>Volume fraction</term>
</keywords>
</textClass>
<langUsage><language ident="en">en</language>
</langUsage>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">Abstract: A microscopic, reversible model to study protein crystal nucleation and growth is presented. The probability of monomer attachment to the growing crystal was assumed to be proportional to the protein volume fraction and the orientational factor representing the anisotropy of protein molecules. The rate of detachment depended on the free energy of association of the given monomer in the lattice, as calculated from the buried surface area. The proposed algorithm allowed the simulation of the process of crystal growth from free monomers to complexes having 105 molecules, i.e. microcrystals with already formed faces. These simulations correctly reproduced the crystal morphology of the chosen model system — the tetragonal lysozyme crystal. We predicted the critical size, after which the growth rate rapidly increased to approximately 50 protein monomers. The major factors determining the protein crystallisation kinetics were the geometry of the protein molecules and the resulting number of kinetics traps on the growth pathway.</div>
</front>
</TEI>
<affiliations><list><country><li>Pologne</li>
</country>
</list>
<tree><country name="Pologne"><noRegion><name sortKey="Kierzek, Andrzej M" sort="Kierzek, Andrzej M" uniqKey="Kierzek A" first="Andrzej M." last="Kierzek">Andrzej M. Kierzek</name>
</noRegion>
<name sortKey="Pokarowski, Piotr" sort="Pokarowski, Piotr" uniqKey="Pokarowski P" first="Piotr" last="Pokarowski">Piotr Pokarowski</name>
<name sortKey="Zielenkiewicz, Piotr" sort="Zielenkiewicz, Piotr" uniqKey="Zielenkiewicz P" first="Piotr" last="Zielenkiewicz">Piotr Zielenkiewicz</name>
<name sortKey="Zielenkiewicz, Piotr" sort="Zielenkiewicz, Piotr" uniqKey="Zielenkiewicz P" first="Piotr" last="Zielenkiewicz">Piotr Zielenkiewicz</name>
</country>
</tree>
</affiliations>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Sante/explor/MersV1/Data/Main/Exploration

HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 003726 | SxmlIndent | more

HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 003726 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Sante
   |area=    MersV1
   |flux=    Main
   |étape=   Exploration
   |type=    RBID
   |clé=     ISTEX:851B6CBA8FB3D7DCC84D4C28E7B0BD52D2117DB6
   |texte=   Microscopic model of protein crystal growth
}}

This area was generated with Dilib version V0.6.33.
Data generation: Mon Apr 20 23:26:43 2020. Site generation: Sat Mar 27 09:06:09 2021

	Serveur d'exploration MERS
	Attention, ce site est en cours de développement ! Attention, site généré par des moyens informatiques à partir de corpus bruts. Les informations ne sont donc pas validées.

Serveur d'exploration MERS

Microscopic model of protein crystal growth

Microscopic model of protein crystal growth

Source :

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri