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一套用于处理极小蛋白质晶体的微晶电子衍射(MicroED)数据的软件。

A suite of software for processing MicroED data of extremely small protein crystals.

作者信息

Iadanza Matthew G, Gonen Tamir

机构信息

Janelia Farm Research Campus, Howard Hughes Medical Institute, 19700 Helix Drive, Ashburn, VA 20147, USA.

出版信息

J Appl Crystallogr. 2014 May 29;47(Pt 3):1140-1145. doi: 10.1107/S1600576714008073. eCollection 2014 Jun 1.

Abstract

Electron diffraction of extremely small three-dimensional crystals (MicroED) allows for structure determination from crystals orders of magnitude smaller than those used for X-ray crystallography. MicroED patterns, which are collected in a transmission electron microscope, were initially not amenable to indexing and intensity extraction by standard software, which necessitated the development of a suite of programs for data processing. The MicroED suite was developed to accomplish the tasks of unit-cell determination, indexing, background subtraction, intensity measurement and merging, resulting in data that can be carried forward to molecular replacement and structure determination. This solution has been modified for more general use to provide a means for processing MicroED data until the technique can be fully implemented into existing crystallographic software packages. The suite is written in Python and the source code is available under a GNU General Public License.

摘要

极小三维晶体的电子衍射(MicroED)能够从比用于X射线晶体学的晶体小几个数量级的晶体中确定结构。在透射电子显微镜中收集的MicroED图案最初无法通过标准软件进行指标化和强度提取,这就需要开发一套数据处理程序。开发MicroED套件是为了完成晶胞确定、指标化、背景扣除、强度测量和合并等任务,从而得到可用于分子置换和结构确定的数据。此解决方案已针对更广泛的用途进行了修改,以提供一种处理MicroED数据的方法,直到该技术能够完全集成到现有的晶体学软件包中。该套件用Python编写,源代码可根据GNU通用公共许可证获得。

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