SAD phasing by combination of direct methods with the SOLVE/RESOLVE procedure

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	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
刊名	ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
	2004
卷号	60 页码:1244
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
ISSN号	0907-4449
通讯作者	Fan, HF (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China.
中文摘要	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.
收录类别	SCI
语种	英语
公开日期	2013-09-24
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/52285]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
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]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY,2004,60:1244.
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-BIOLOGICAL CRYSTALLOGRAPHY,60,1244.
MLA	Wang, JW,et al."SAD phasing by combination of direct methods with the SOLVE/RESOLVE procedure".ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY 60(2004):1244.