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上海同步辐射装置晶体学光束线BL19U1的升级

Upgrade of crystallography beamline BL19U1 at the Shanghai Synchrotron Radiation Facility.

作者信息

Xiao Qingjie, Wu Tingting, Bao Kangwen, Tang Jianchao, Zhang Yupu, Zhang Weizhe, Zhu Zhongjie, Gu Yijun, Zhou Shuyu, Li Chunyu, Lu Lanlu, Jiang Luozhen, Liu Yang, Qin Wenming

机构信息

National Facility for Protein Science in Shanghai, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai, 201210, People's Republic of China.

出版信息

J Appl Crystallogr. 2024 Apr 15;57(Pt 3):630-637. doi: 10.1107/S1600576724002188. eCollection 2024 Jun 1.

Abstract

BL19U1, an energy-tunable protein complex crystallography beamline at the Shanghai Synchrotron Radiation Facility, has emerged as one of the most productive MX beamlines since opening to the public in July 2015. As of October 2023, it has contributed to over 2000 protein structures deposited in the Protein Data Bank (PDB), resulting in the publication of more than 1000 scientific papers. In response to increasing interest in structure-based drug design utilizing X-ray crystallography for fragment library screening, enhancements have been implemented in both hardware and data collection systems on the beamline to optimize efficiency. Hardware upgrades include the transition from MD2 to MD2S for the diffractometer, alongside the installation of a humidity controller featuring a rapid nozzle exchanger. This allows users to opt for either low-temperature or room-temperature data collection modes. The control system has been upgraded from to , which supports website-mode data collection, providing enhanced compatibility and easy expansion with new features. An automated data processing pipeline has also been developed to offer users real-time feedback on data quality.

摘要

BL19U1是上海同步辐射装置上一条能量可调谐的蛋白质复合物晶体学光束线,自2015年7月向公众开放以来,已成为产出最高的大分子晶体学光束线之一。截至2023年10月,它已助力2000多个蛋白质结构存入蛋白质数据库(PDB),促成了1000多篇科学论文的发表。为响应利用X射线晶体学进行片段库筛选的基于结构的药物设计日益增长的兴趣,该光束线在硬件和数据采集系统方面都进行了改进,以优化效率。硬件升级包括将衍射仪从MD2升级到MD2S,以及安装了带有快速喷嘴交换器的湿度控制器。这使得用户可以选择低温或室温数据采集模式。控制系统已从 升级到 ,支持网站模式数据采集,具有增强的兼容性并能通过新功能轻松扩展。还开发了一个自动化数据处理管道,为用户提供数据质量的实时反馈。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6cf0/11151664/9dac54e6585e/j-57-00630-fig1.jpg

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