| SABIN, Charles David and Pavel PLEVKA. The use of noncrystallographic symmetry averaging to solve structures from data affected by perfect hemihedral twinning. ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS. CHESTER: INT UNION CRYSTALLOGRAPHY, 2016, vol. 72, March, p. 188-197. ISSN 2053-230X. Available from: https://dx.doi.org/10.1107/S2053230X16000923. |
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@article{1373969,
author = {Sabin, Charles David and Plevka, Pavel},
article_location = {CHESTER},
article_number = {March},
doi = {http://dx.doi.org/10.1107/S2053230X16000923},
keywords = {hemihedral perfect twinning; noncrystallographic symmetry averaging; molecular replacement; virus structure; symmetry; detwinning; twin domain; merohedral twinning; mask envelope},
language = {eng},
issn = {2053-230X},
journal = {ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS},
title = {The use of noncrystallographic symmetry averaging to solve structures from data affected by perfect hemihedral twinning},
url = {http://scripts.iucr.org/cgi-bin/paper?S2053230X16000923},
volume = {72},
year = {2016}
}
TY - JOUR
ID - 1373969
AU - Sabin, Charles David - Plevka, Pavel
PY - 2016
TI - The use of noncrystallographic symmetry averaging to solve structures from data affected by perfect hemihedral twinning
JF - ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS
VL - 72
IS - March
SP - 188-197
EP - 188-197
PB - INT UNION CRYSTALLOGRAPHY
SN - 2053230X
KW - hemihedral perfect twinning
KW - noncrystallographic symmetry averaging
KW - molecular replacement
KW - virus structure
KW - symmetry
KW - detwinning
KW - twin domain
KW - merohedral twinning
KW - mask envelope
UR - http://scripts.iucr.org/cgi-bin/paper?S2053230X16000923
L2 - http://scripts.iucr.org/cgi-bin/paper?S2053230X16000923
N2 - 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. The procedure permitted the structure to be determined from a molecular-replacement model that had 16% sequence identity and a 1.6 angstrom r.m.s.d. for C-alpha atoms in comparison to the crystallized structure. The same approach could be used to solve other data sets affected by perfect hemihedral twinning from crystals with NCS.
ER -
SABIN, Charles David and Pavel PLEVKA. The use of noncrystallographic symmetry averaging to solve structures from data affected by perfect hemihedral twinning. \textit{ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS}. CHESTER: INT UNION CRYSTALLOGRAPHY, 2016, vol.~72, March, p.~188-197. ISSN~2053-230X. Available from: https://dx.doi.org/10.1107/S2053230X16000923.
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