Automated workflows for strategy computation and data collection at synchrotron beamlines

同步辐射光束线上的策略计算和数据采集自动化工作流程

阅读:2

Abstract

The Global Phasing workflow derives and executes experimental strategies for macromolecular crystallography, optimized in real time for the crystal symmetry and mounting orientation and the expected experimental resolution. By acquiring sweeps at multiple orientations, the workflow averages out the differences in Lorentz intensity enhancement and multiplicity to produce equally weighted merged reflections for processing. Values for various classes of parameters can be read from configuration files, submitted diffraction plans or user interaction, with optimal transmission settings derived from the beam flux density and the intended experimental resolution. The program can be executed in user-driven or unattended mode. Strategies are available for native or phasing experiments in either basic or advanced versions. The workflow has been shown to improve resolution, the number of unique reflections measured and average I/σ compared with a single-sweep experiment on equivalent crystals with the same total radiation dose. The workflow is a standalone program that could be interfaced to any beamline-control system, and is currently available through its integration with MXCuBE on a number of beamlines.

特别声明

1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。

2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。

3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。

4、投稿及合作请联系:info@biocloudy.com。