Phasing protein structures using the group-subgroup relation

Acta Crystallogr D Biol Crystallogr. 2003 Aug;59(Pt 8):1435-9. doi: 10.1107/s0907444903012538. Epub 2003 Jul 23.

Abstract

Diffraction data from two non-isomorphous crystals (forms 1 and 2) of an artificial protein with a four-helix bundle motif, di-Co(II)-DF1-L13A, have been collected using synchrotron radiation. The phase of form 1 has been assigned using the group and minimal non-isomorphic supergroup relation between the space group of the previously determined di-Mn(II)-DF1-L13G structure and the space group of this form. This unconventional method of solving the phase problem has also been tested with form 2 using a reverse relation. The structure of the latter form has been solved using the group and maximal non-isomorphic subgroup relation with the space group of form 2 of the analogous dimanganese protein. This application has shown that this phasing method can be used for solving the protein structures of polymorphic crystals as an alternative to the molecular-replacement method.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Motifs
  • Binding Sites
  • Dimerization
  • Image Processing, Computer-Assisted
  • Models, Molecular
  • Proteins / chemistry*
  • X-Ray Diffraction / methods*

Substances

  • Proteins