Raw diffraction data for structure of SARS-CoV-2 main protease with Z33545544 (ID: mpro-x0177 / PDB: 5RE5)

Raw diffraction data for mpro-x0177 / PDB ID 5RE5 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RE5) - SARS-CoV-2 main protease in complex with Z33545544 (SMILES:NC(=O)C1CCN(CC1)C(=O)NC=2C=CC=CC2) 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-x0177 / PDB编号5RE5对应的原始衍射数据（详见：https://www.ebi.ac.uk/pdbe/entry/pdb/5RE5），样本为严重急性呼吸综合征冠状病毒2型（SARS-CoV-2）主蛋白酶与Z33545544的复合物（SMILES：NC(=O)C1CCN(CC1)C(=O)NC=2C=CC=CC2）。该数据于钻石同步辐射光源（Diamond Light Source）的i04-1光束线采集，属于XChem晶体片段筛选项目的组成部分。已提交的关联结构已通过标准钻石光源工具及PanDDA完成自动处理，但本数据集公开原始衍射数据，以供所有相关研究人员进行重新分析。更多详情请参阅：https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html