TY - DATA T1 - Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102911 (ID: mpro-x0831 / PDB: 5REY) AU - Aragao, David AU - Brandao-Neto, Jose AU - Carbery, Anna AU - Crawshaw, Adam AU - Dias, Alexandre AU - Douangamath, Alice AU - Dunnett, Louise AU - Fearon, Daren AU - Flaig, Ralf AU - Gehrtz, Paul AU - Hall, Dave AU - Krojer, Tobias AU - London, Nir AU - Lukacik, Petra AU - Mazzorana, Marco AU - McAuley, Katherine AU - Owen, David AU - Powell, Ailsa AU - Reddi, Rambabu AU - Resnick, Efrat AU - Skyner, Rachael AU - Snee, Matt AU - Strain-Damerell, Claire AU - Stuart, Dave AU - von Delft, Frank AU - Walsh, Martin AU - Wild, Conor AU - Williams, Mark AU - Winter, Graeme DO - 10.5281/ZENODO.3731022 UR - https://zenodo.org/record/3731022 AB - Raw diffraction data for mpro-x0831 / PDB ID 5REY (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REY) - SARS-CoV-2 main protease in complex with PCM-0102911 (SMILES:Cc1ccccc1CN2CCCN(CC2)C(=O)CCl) 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 KW - COVID-19 KW - SARS-CoV-2 main protease KW - automated upload KW - PDB:5REY KW - Diamond Light Source / MX / XChem PY - 2020 PB - Zenodo SN - https://zenodo.org/communities/covid-19 ER -