Raw diffraction data for structure of SARS-CoV-2 main protease with Z1741982125 (ID: mpro-x1002 / PDB: 5RF4)

Raw diffraction data for mpro-x1002 / PDB ID 5RF4 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RF4) - SARS-CoV-2 main protease in complex with Z1741982125 (SMILES:OC=1C=CC=CN1) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html本数据集为mpro-x1002的原始衍射数据，对应PDB（蛋白质数据库，Protein Data Bank）编号5RF4（详见：https://www.ebi.ac.uk/pdbe/entry/pdb/5RF4）。其样品为与Z1741982125（简化分子线性输入规范（Simplified Molecular Input Line Entry System，SMILES）：OC=1C=CC=CN1）结合的新型冠状病毒（SARS-CoV-2）主蛋白酶，数据采集自钻石光源（Diamond Light Source）i04-1光束线的XChem晶体片段筛选项目。已提交的关联结构已通过标准Diamond工具与PanDDA完成自动处理，但本次公开原始衍射数据旨在允许所有感兴趣的相关方开展重新分析工作。更多详情请访问：https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html