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使用 Buccaneer 结合 CCP-EM 进行冷冻电镜图自动建模的当前方法。

Current approaches for automated model building into cryo-EM maps using Buccaneer with CCP-EM.

机构信息

York Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.

Scientific Computing Department, Science and Technology Facilities Council, Research Complex at Harwell, Didcot OX11 0FA, United Kingdom.

出版信息

Acta Crystallogr D Struct Biol. 2020 Jun 1;76(Pt 6):531-541. doi: 10.1107/S2059798320005513. Epub 2020 May 29.

Abstract

This work focuses on the use of the existing protein-model-building software Buccaneer to provide structural interpretation of electron cryo-microscopy (cryo-EM) maps. Originally developed for application to X-ray crystallography, the necessary steps to optimise the usage of Buccaneer with cryo-EM maps are shown. This approach has been applied to the data sets of 208 cryo-EM maps with resolutions of better than 4 Å. The results obtained also show an evident improvement in the sequencing step when the initial reference map and model used for crystallographic cases are replaced by a cryo-EM reference. All other necessary changes to settings in Buccaneer are implemented in the model-building pipeline from within the CCP-EM interface (as of version 1.4.0).

摘要

这项工作专注于使用现有的蛋白质模型构建软件 Buccaneer 来提供电子晶体显微镜 (cryo-EM) 图谱的结构解释。该软件最初是为应用于 X 射线晶体学而开发的,文中展示了优化 Buccaneer 与 cryo-EM 图谱一起使用的必要步骤。这种方法已经应用于分辨率优于 4 Å 的 208 个 cryo-EM 图谱数据集。结果还表明,当将用于晶体学案例的初始参考图谱和模型替换为 cryo-EM 参考时,在测序步骤中会有明显的改进。在 CCP-EM 界面(截至 1.4.0 版本)中,Buccaneer 中的所有其他必要设置更改都在模型构建管道中实现。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a87b/7271950/b81c9256a8be/d-76-00531-fig1.jpg

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