The use of noncrystallographic symmetry averaging to solve structures from data affected by perfect hemihedral twinning

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F16%3A00093717" target="_blank" >RIV/00216224:14740/16:00093717 - isvavai.cz</a>

Výsledek na webu

<a href="http://scripts.iucr.org/cgi-bin/paper?S2053230X16000923" target="_blank" >http://scripts.iucr.org/cgi-bin/paper?S2053230X16000923</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1107/S2053230X16000923" target="_blank" >10.1107/S2053230X16000923</a>

Jazyk výsledku

angličtina

Název v původním jazyce

The use of noncrystallographic symmetry averaging to solve structures from data affected by perfect hemihedral twinning

Popis výsledku v původním jazyce

Hemihedral twinning is a crystal-growth anomaly in which a specimen is composed of two crystal domains that coincide with each other in three dimensions. However, the orientations of the crystal lattices in the two domains differ in a specific way. In diffraction data collected from hemihedrally twinned crystals, each observed intensity contains contributions from both of the domains. With perfect hemihedral twinning, the two domains have the same volumes and the observed intensities do not contain sufficient information to detwin the data. Here, the use of molecular replacement and of noncrystallo-graphic symmetry (NCS) averaging to detwin a 2.1 angstrom resolution data set for Aichi virus 1 affected by perfect hemihedral twinning is described. The NCS averaging enabled the correction of errors in the detwinning introduced by the differences between the molecular-replacement model and the crystallized structure.

Název v anglickém jazyce

The use of noncrystallographic symmetry averaging to solve structures from data affected by perfect hemihedral twinning

Popis výsledku anglicky

Hemihedral twinning is a crystal-growth anomaly in which a specimen is composed of two crystal domains that coincide with each other in three dimensions. However, the orientations of the crystal lattices in the two domains differ in a specific way. In diffraction data collected from hemihedrally twinned crystals, each observed intensity contains contributions from both of the domains. With perfect hemihedral twinning, the two domains have the same volumes and the observed intensities do not contain sufficient information to detwin the data. Here, the use of molecular replacement and of noncrystallo-graphic symmetry (NCS) averaging to detwin a 2.1 angstrom resolution data set for Aichi virus 1 affected by perfect hemihedral twinning is described. The NCS averaging enabled the correction of errors in the detwinning introduced by the differences between the molecular-replacement model and the crystallized structure.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CE - Biochemie

OECD FORD obor

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Projekt

<a href="/cs/project/LQ1601" target="_blank" >LQ1601: CEITEC 2020</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS

ISSN

2053-230X

e-ISSN

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Svazek periodika

72

Číslo periodika v rámci svazku

March

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

10

Strana od-do

188-197

Kód UT WoS článku

000371619200005

EID výsledku v databázi Scopus

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