A GROUP REFINEMENT PROCEDURE IN PROTEIN CRYSTALLOGRAPHY USING FOURIER-TRANSFORMS

被引：66

作者：

HUBER, R

SCHNEIDER, M

机构：

[1] Max-Planck Inst fuer Biochemie, Martinsried, West Ger, Max-Planck Inst fuer Biochemie, Martinsried, West Ger

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 1985年 / 18卷 / JUN期

关键词：

CRYSTALLOGRAPHY - MATHEMATICAL TRANSFORMATIONS - Fourier Transforms;

D O I：

10.1107/S0021889885010044

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A rigid-body refinement method and program for crystallography of macromolecules is described. Orientational and translational parameters are refined by fitting the molecular Fourier transforms to the observed structure-factor amplitudes. The range of convergence of the method has been used on four examples with known crystal structure: PTI, chymotrypsinogen and two forms of alpha 1 anti-trypsin. It was successfully applied in the structure solution of two unknown crystal structures: a third form of alpha 1 anti-trypsin and C-phycocyanin.

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页码：165 / 169

页数：5

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