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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >When two into one won't go: fitting in the presence of steric hindrance and partial occupancy
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When two into one won't go: fitting in the presence of steric hindrance and partial occupancy

机译：当两个到一个不会:拟合位阻和部分的存在入住率

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摘要

Combining structural data from cryo-electron microscopy (cryo-EM) and X-ray crystallography to give pseudo-atomic models of large molecular complexes has proved particularly suitable for studying viruses and viral complexes. Several groups are developing programs to fit X-ray data to EM data. These programs are in general tailored to particular problems with regard to size, symmetry, number of rigid bodies, resolution etc. Here, two approaches are described to fitting X-ray data to EM data in the presence of steric interference and their relative merits and limitations are indicated. These fitting techniques are applied to the case of the rotavirus double-layered particle (DLP) in complex with antibodies which inhibit the transcription of mRNA by the DLP. This is a particularly good test case, as the cryo-electron microscopy map of the DLP-Fab complex, the X-ray structure of the viral protein (VP6) and also that of the VP6-Fab complex are available. The estimation of partial occupancy is also considered.
机译：从低温电子结合结构数据显微镜低温电子显微镜和x射线晶体学给pseudo-atomic大型分子模型配合物已被证明是特别适合研究病毒和病毒复合物。组织发展计划以适应的x射线数据他们的数据。针对特定问题有关大小、对称刚体,决议等。描述了EM的数据拟合的x射线数据空间干扰和他们的存在表示相对优点和局限性。这些拟合技术应用于案例轮状病毒的双层粒子(DLP)复杂与抗体抑制DLP mRNA转录。特别好的测试用例,低温电子显微镜的DLP-Fab地图复杂,x射线病毒蛋白的结构(VP6)也VP6-Fab复杂的是可用的。估计部分入住率也考虑。

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