Refinement of macromolecular structures by the maximum-likelihood method

被引：14324

作者：

Murshudov, GN ^{[1
]}

Vagin, AA ^{[1
]}

Dodson, EJ ^{[1
]}

机构：

[1] FREE UNIV BRUSSELS, UCMB ULB, BRUSSELS, BELGIUM

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 1997年 / 53卷

关键词：

D O I：

10.1107/S0907444996012255

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

This paper reviews the mathematical basis of maximum likelihood. The likelihood function for macromolecular structures is extended to include prior phase information and experimental standard uncertainties. The assumption that different parts of a structure might have different errors is considered. A method for estimating sigma(A) using 'free' reflections is described and its effects analysed. The derived equations have been implemented in the program REFMAC. This has been tested on several proteins at different stages of refinement (bacterial alpha-amylase, cytochrome c', cross-linked insulin and oligopeptide binding protein). The results derived using the maximum-likelihood residual are consistently better than those obtained from least squares refinement.

引用

页码：240 / 255

页数：16

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