Arid
DOI10.1107/S0907444904010674
SAD phasing by combination of direct methods with the SOLVE/RESOLVE procedure
Wang, JW; Chen, JR; Gu, YX; Zheng, CD; Jiang, F; Fan, HF; Terwilliger, TC; Hao, Q
通讯作者Fan, HF
来源期刊ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
ISSN2059-7983
出版年2004
卷号60页码:1244-1253
英文摘要

In the initial stage of SAD phasing, the essential point is to break the intrinsic phase ambiguity. The presence of two kinds of phase information enables the discrimination of phase doublets from SAD data prior to density modification. One is from the heavy atoms ( anomalous scatterers), while the other is from the direct-methods phase relationships. The former can be expressed by the Sim distribution, while the latter can be expressed by the Cochran distribution. Typically, only the Sim distribution has been used to yield initial phases for subsequent density modification. However, it has been demonstrated that using direct-methods phases based on the product of the Sim and Cochran distributions can lead to improved initial phases. In this paper, the direct-methods phasing procedure OASIS has been improved and combined with the SOLVE/RESOLVE procedure. Experimental SAD data from three known proteins with expected Bijvoet ratios h[DeltaF]/[F] in the range 1.4 - 7.0% were used as test cases. In all cases, the phases obtained using the program RESOLVE beginning with initial phases based on experimental phases plus Sim and direct-methods information were more accurate than those based on experimental plus Sim phase information alone.


类型Article
语种英语
国家Peoples R China ; USA
收录类别SCI-E
WOS记录号WOS:000222177600008
WOS关键词ANOMALOUS-SCATTERING DATA ; COMBINING DIRECT METHODS ; STATISTICAL DENSITY MODIFICATION ; PROTEIN CRYSTAL-STRUCTURES ; ISOMORPHOUS REPLACEMENT ; S-ATOMS ; ENTROPY MAXIMIZATION ; MAXIMUM-ENTROPY ; SULFUR ; RESOLUTION
WOS类目Biochemical Research Methods ; Biochemistry & Molecular Biology ; Biophysics ; Crystallography
WOS研究方向Biochemistry & Molecular Biology ; Biophysics ; Crystallography
资源类型期刊论文
条目标识符http://119.78.100.177/qdio/handle/2XILL650/146053
作者单位(1)Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China;(2)Los Alamos Natl Lab, Los Alamos, NM 87545 USA;(3)Cornell Univ, MacCHESS, Wilson Synchrotron Lab 273, Ithaca, NY 14853 USA
推荐引用方式
GB/T 7714
Wang, JW,Chen, JR,Gu, YX,et al. SAD phasing by combination of direct methods with the SOLVE/RESOLVE procedure[J],2004,60:1244-1253.
APA Wang, JW.,Chen, JR.,Gu, YX.,Zheng, CD.,Jiang, F.,...&Hao, Q.(2004).SAD phasing by combination of direct methods with the SOLVE/RESOLVE procedure.ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY,60,1244-1253.
MLA Wang, JW,et al."SAD phasing by combination of direct methods with the SOLVE/RESOLVE procedure".ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY 60(2004):1244-1253.
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