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New expression of bimodal phase distributions in direct-method phasing of protein single-wavelength anomalous diffraction data
Zhang Tao1,2,3; Gu Yuan-Xin1,2; Zheng Chao-De1,2; Fan Hai-Fu1,2
通讯作者Fan Hai-Fu
来源期刊CHINESE PHYSICS B
ISSN1674-1056
EISSN1741-4199
出版年2010
卷号19期号:8
英文摘要

One of the essential points of the direct-method single-wavelength anomalous diffraction (SAD) phasing for proteins is to express the bimodal SAD phase distribution by the sum of two Gaussian functions peaked respectively at phi(h)’’ + vertical bar Delta phi(h)vertical bar and phi(h)’’ - vertical bar Delta phi(h)vertical bar. The probability for Delta phi(h) being positive (P+) can be derived based on the Cochran distribution in direct methods. Hence the SAD phase ambiguity can be resolved by multiplying the Gaussian function peaked at phi(h)’’ - vertical bar Delta phi(h)vertical bar with P+ and multiplying the Gaussian function peaked at phi(h)’’ - vertical bar Delta phi(h)vertical bar with P- (= 1 - P+). The direct-method SAD phasing has been proved powerful in breaking SAD phase ambiguities, in particular when anomalous-scattering signals are weak. However, the approximation of bimodal phase distributions by the sum of two Gaussian functions introduces considerable errors. In this paper we show that a much better approximation can be achieved by replacing the two Gaussian functions with two von Mises distributions. Test results showed that this leads to significant improvement on the efficiency of direct-method SAD-phasing.


英文关键词direct methods single-wavelength anomalous diffraction OASIS program proteins
类型Article
语种英语
国家Peoples R China
收录类别SCI-E
WOS记录号WOS:000280741800002
WOS关键词ISOMORPHOUS REPLACEMENT ; RESOLUTION ; SCATTERING ; SULFUR
WOS类目Physics, Multidisciplinary
WOS研究方向Physics
来源机构兰州大学
资源类型期刊论文
条目标识符http://119.78.100.177/qdio/handle/2XILL650/163663
作者单位1.Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Inst Phys, Beijing 100190, Peoples R China;
2.Chinese Acad Sci, Key Lab Soft Matter Phys, Inst Phys, Beijing 100190, Peoples R China;
3.Lanzhou Univ, Res Inst Magnet Mat, Sch Phys Sci & Technol, Lanzhou 730000, Peoples R China
推荐引用方式
GB/T 7714
Zhang Tao,Gu Yuan-Xin,Zheng Chao-De,et al. New expression of bimodal phase distributions in direct-method phasing of protein single-wavelength anomalous diffraction data[J]. 兰州大学,2010,19(8).
APA Zhang Tao,Gu Yuan-Xin,Zheng Chao-De,&Fan Hai-Fu.(2010).New expression of bimodal phase distributions in direct-method phasing of protein single-wavelength anomalous diffraction data.CHINESE PHYSICS B,19(8).
MLA Zhang Tao,et al."New expression of bimodal phase distributions in direct-method phasing of protein single-wavelength anomalous diffraction data".CHINESE PHYSICS B 19.8(2010).
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