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
[31]   A PHASED TRANSLATION FUNCTION [J].
READ, RJ ;
SCHIERBEEK, AJ .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1988, 21 :490-495
[32]   IMPROVED FOURIER COEFFICIENTS FOR MAPS USING PHASES FROM PARTIAL STRUCTURES WITH ERRORS [J].
READ, RJ .
ACTA CRYSTALLOGRAPHICA SECTION A, 1986, 42 :140-149
[33]   Direct-space methods in phase extension and phase refinement .4. The double-histogram method [J].
Refaat, LS ;
Tate, C ;
Woolfson, MM .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 1996, 52 :252-256
[34]   DIRECT-SPACE METHODS IN PHASE EXTENSION AND PHASE DETERMINATION .2. DEVELOPMENTS OF LOW-DENSITY ELIMINATION [J].
REFAAT, LS ;
WOOLFSON, MM .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 1993, 49 :367-371
[35]   PHASE IMPROVEMENT BY CROSS-VALIDATED DENSITY MODIFICATION [J].
ROBERTS, ALU ;
BRUNGER, AT .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1995, 51 :990-1002
[36]   MOLECULAR REPLACEMENT REAL-SPACE AVERAGING [J].
ROSSMANN, MG ;
MCKENNA, R ;
TONG, L ;
XIA, D ;
DAI, JB ;
WU, H ;
CHOI, HK ;
LYNCH, RE .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1992, 25 :166-180
[37]   LEAST-SQUARES PHASE REFINEMENT .2. HIGH-RESOLUTION PHASING OF A SMALL PROTEIN [J].
SAYRE, D .
ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (MAR) :180-184
[38]   MAGICSQUASH: More versatile non-crystallographic averaging with multiple constraints [J].
Schuller, DJ .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 1996, 52 :425-434
[39]   DETERMINATION AND RESTRAINED LEAST-SQUARES REFINEMENT OF THE STRUCTURES OF RIBONUCLEASE SA AND ITS COMPLEX WITH 3'-GUANYLIC ACID AT 1.8 A RESOLUTION [J].
SEVCIK, J ;
DODSON, EJ ;
DODSON, GG .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1991, 47 :240-253
[40]   STRUCTURE SOLUTION BY ITERATIVE PEAKLIST OPTIMIZATION AND TANGENT EXPANSION IN-SPACE GROUP P1 [J].
SHELDRICK, GM .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1995, 51 :423-431