Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102277 (ID: mpro-x1334 / PDB: 5RFH)

Raw diffraction data for mpro-x1334 / PDB ID 5RFH (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RFH) - SARS-CoV-2 main protease in complex with PCM-0102277 (SMILES:ClCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1) 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针对mpro-x1334/蛋白质数据库（Protein Data Bank，PDB）编号5RFH的原始衍射数据（详见：https://www.ebi.ac.uk/pdbe/entry/pdb/5RFH）——该数据为严重急性呼吸综合征冠状病毒2（SARS-CoV-2）主蛋白酶与PCM-0102277（简化分子线性输入规范（Simplified Molecular Input Line Entry System，SMILES）表达式：ClCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1）形成的复合物的衍射数据，采集自钻石光源（Diamond Light Source）i04-1光束线的XChem晶体学片段筛选项目。已提交的复合物结构已通过标准Diamond工具与PanDDA完成自动处理，但本次公开原始衍射数据以供所有相关方开展重新分析。更多详情请参阅：https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html