MIR phasing using merohedrally twinned crystals

Acta Crystallogr D Biol Crystallogr. 2003 Nov;59(Pt 11):2017-22. doi: 10.1107/s090744490302122x. Epub 2003 Oct 23.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carboxypeptidases A / chemistry
  • Crystallization
  • Crystallography, X-Ray / methods*
  • Intramolecular Transferases / chemistry
  • Oxidoreductases / chemistry
  • Penicillin-Binding Proteins*
  • Peroxidases / chemistry
  • Peroxiredoxins
  • Phycoerythrin / chemistry

Substances

  • Penicillin-Binding Proteins
  • Phycoerythrin
  • Oxidoreductases
  • Peroxidases
  • Peroxiredoxins
  • hydroxylamine dehydrogenase
  • Carboxypeptidases A
  • Intramolecular Transferases
  • deacetoxycephalosporin C synthetase