A multivariate likelihood SIRAS function for phasing and model refinement

被引：7

作者：

Skubak, Pavol ^{[1
]}

Murshudov, Garib ^{[2
]}

Pannu, Navraj S. ^{[1
]}

机构：

[1] Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, Biophys Struct Chem, NL-2300 RA Leiden, Netherlands

[2] Univ York, Dept Chem, York Struct Biol Lab, York YO10 5DD, N Yorkshire, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2009年 / 65卷

基金：

英国惠康基金;

关键词：

ISOMORPHOUS REPLACEMENT; MACROMOLECULAR STRUCTURES; CRYSTAL-STRUCTURE; INFORMATION; RESOLUTION;

D O I：

10.1107/S0907444909028078

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

A likelihood function based on the multivariate probability distribution of all observed structure-factor amplitudes from a single isomorphous replacement with anomalous scattering experiment has been derived and implemented for use in substructure refinement and phasing as well as macromolecular model refinement. Efficient calculation of a multidimensional integration required for function evaluation has been achieved by approximations based on the function's properties. The use of the function in both phasing and protein model building with iterative refinement was essential for successful automated model building in the test cases presented.

引用

页码：1051 / 1061

页数：11

共 32 条

[1] Methods used in the structure determination of bovine mitochondrial F-1 ATPase [J].