MAD phasing: probabilistic estimate of [F (oa)]

Acta Crystallogr D Biol Crystallogr. 2002 Jun;58(Pt 6 Pt 2):928-35. doi: 10.1107/s0907444902004195. Epub 2002 May 29.

Abstract

The method of the joint probability distribution function is applied in order to estimate the structure-factor moduli of the anomalous scatterer substructure. The two-wavelength case is examined: the prior knowledge of the moduli [F(1)(+)], [F(1)(-)], [F(2)(+)], [F(2)(-)] is used to predict the value of [F(oa)] arising from the normal scattering of the anomalous scatterers. The conclusive formula is applied to ideal and to real cases: evidence of the usefulness of the approach is obtained.

MeSH terms

  • Computational Biology
  • Models, Chemical*
  • Models, Statistical*
  • Probability