OASIS4.0-a new version of the program OASIS for phasing protein diffraction data
文献类型：期刊论文
| 作者 | Zhang, T ; Gu, YX ; Zheng, CD ; Fan, HF |
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2010 |
| 卷号 | 19期号:8 |
| 关键词 | SPACE FRAGMENT EXTENSION SAD CRYSTALLOGRAPHY IMPROVEMENT REFINEMENT AMBIGUITY |
| ISSN号 | 1674-1056 |
| 通讯作者 | Gu, YX (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | 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. |
| 收录类别 | SCI |
| 资助信息 | Innovation Foundation of the Chinese Academy of Sciences; National Basic Research Program of China [2002CB713801] |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/50117]  |
| 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 | Zhang, T,Gu, YX,Zheng, CD,et al. OASIS4.0-a new version of the program OASIS for phasing protein diffraction data[J]. CHINESE PHYSICS B,2010,19(8). |
| APA | Zhang, T,Gu, YX,Zheng, CD,&Fan, HF.(2010).OASIS4.0-a new version of the program OASIS for phasing protein diffraction data.CHINESE PHYSICS B,19(8). |
| MLA | Zhang, T,et al."OASIS4.0-a new version of the program OASIS for phasing protein diffraction data".CHINESE PHYSICS B 19.8(2010). |
入库方式： OAI收割
来源：物理研究所
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