Density modification for macromolecular phase improvement

被引:236
作者
Cowtan, KD [1 ]
Zhang, KYJ
机构
[1] Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England
[2] Fred Hutchinson Canc Res Ctr, Div Basic Sci, Seattle, WA USA
关键词
D O I
10.1016/S0079-6107(99)00008-5
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Density modification provides a simple and largely automatic tool for improving phase estimates for observed structure factors. The phase information arises from a combination of the known structure factor magnitudes, the current phase estimates, and stereochemical information. The magnitudes, the current phase estimates, and stereochemical information. The addition of these phase information derived from theoretical sources renders new structures amenable to solution, and reduces the effort required to solve other structures. A diverse array of techniques which have been applied to the phase improvement problem are reviewed. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.
引用
收藏
页码:245 / 270
页数:26
相关论文
共 53 条
[1]   Bias reduction in phase refinement by modified interference functions: Introducing the gamma correction [J].
Abrahams, JP .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1997, 53 :371-376
[2]   Methods used in the structure determination of bovine mitochondrial F-1 ATPase [J].
Abrahams, JP ;
Leslie, AGW .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1996, 52 :30-42
[3]   METHOD FOR OBTAINING A HIGH-RESOLUTION PROTEIN MAP STARTING FROM A LOW RESOLUTION MAP [J].
AGARWAL, RC ;
ISAACS, NW .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1977, 74 (07) :2835-2839
[4]   PRISM - TOPOLOGICALLY CONSTRAINED PHASE REFINEMENT FOR MACROMOLECULAR CRYSTALLOGRAPHY [J].
BAKER, D ;
BYSTROFF, C ;
FLETTERICK, RJ ;
AGARD, DA .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1993, 49 :429-439
[5]   GEOMETRIC SOURCES OF REDUNDANCY IN INTENSITY DATA AND THEIR USE FOR PHASE DETERMINATION [J].
BRICOGNE, G .
ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (MAY1) :395-405
[6]   METHODS AND PROGRAMS FOR DIRECT-SPACE EXPLOITATION OF GEOMETRIC REDUNDANCIES [J].
BRICOGNE, G .
ACTA CRYSTALLOGRAPHICA SECTION A, 1976, 32 (SEP1) :832-847
[7]   FREE R-VALUE - A NOVEL STATISTICAL QUANTITY FOR ASSESSING THE ACCURACY OF CRYSTAL-STRUCTURES [J].
BRUNGER, AT .
NATURE, 1992, 355 (6359) :472-475
[8]  
Chapman MS, 1998, NATO ADV SCI I C-MAT, V507, P99
[9]   Miscellaneous algorithms for density modification [J].
Cowtan, K ;
Main, P .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 1998, 54 :487-493
[10]   Phase combination and cross validation in iterated density-modification calculations [J].
Cowtan, KD ;
Main, P .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1996, 52 :43-48