Incorporation of prior phase information strengthens maximum-likelihood structure refinement

Acta Crystallogr D Biol Crystallogr. 1998 Nov 1;54(Pt 6 Pt 2):1285-94. doi: 10.1107/s0907444998004119.

Abstract

The application of a maximum-likelihood analysis to the problem of structure refinement has led to striking improvements over the traditional least-squares methods. Since the method of maximum likelihood allows for a rational incorporation of other sources of information, we have derived a likelihood function that incorporates experimentally determined phase information. In a number of different test cases, this target function performs better than either a least-squares target or a maximum-likelihood function lacking prior phases. Furthermore, this target gives significantly better results compared with other functions incorporating phase information. When combined with a procedure to mask 'unexplained' density, the phased likelihood target also makes it possible to refine very incomplete models.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Crystallography, X-Ray
  • Cytochrome c Group / chemistry
  • Likelihood Functions*
  • Models, Molecular
  • Molecular Structure*
  • Protein Conformation
  • Receptors, Estrogen / chemistry

Substances

  • Cytochrome c Group
  • Receptors, Estrogen