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PMID: 14573957 Published · ppublish English Journal Article Research Support, Non-U.S. Gov't

MIR phasing using merohedrally twinned crystals.

Acta crystallographica. Section D, Biological crystallography ·Vol. 59 ·No. Pt 11 ·2003-11-00 ·Pages 2017-22

Terwisscha van Scheltinga AC, Valegård K, Hajdu J, Andersson I

Abstract

Merohedral twinning is a crystal-growth disorder that seriously hinders the determination of macromolecular crystal structures by isomorphous replacement. The strategies used in the structures solved so far are discussed. Several methods can be used to determine the extent of twinning, the twin fraction and to detwin the data. Accurate determination of the twin fraction by analysing heavy-atom refinement statistics is possible, but only influences the resulting phases slightly. It seems more crucial to restrict the variation in twin fractions between data sets, either by making the twin fractions of some data sets artificially higher or by screening crystals to obtain data with a low twin fraction.

MeSH Terms
Carboxypeptidases A/chemistry Crystallization Crystallography, X-Ray/methods Intramolecular Transferases/chemistry Oxidoreductases/chemistry Penicillin-Binding Proteins Peroxidases/chemistry Peroxiredoxins Phycoerythrin/chemistry
Chemicals
Penicillin-Binding Proteins Phycoerythrin Oxidoreductases Peroxidases Peroxiredoxins hydroxylamine dehydrogenase Carboxypeptidases A Intramolecular Transferases deacetoxycephalosporin C synthetase
Authors & Affiliations
4 authors, click to expand affiliations / ORCID
Terwisscha van Scheltinga Anke C
Department of Molecular Biology, Swedish University of Agricultural Sciences, Box 590, S-751 24 Uppsala, Sweden. anke@xray.bmc.uu.se
Valegård Karin
Hajdu Janos
Andersson Inger
Article Info
Journal
Acta crystallographica. Section D, Biological crystallography
Abbr.
Acta Crystallogr D Biol Crystallogr
ISSN
0907-4449
Published
2003-11-00
Epub
2003-00-23
Pages
2017-22
Language
English
Region
United States
NLM ID
9305878
Subset
IM
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