March 30, 2020 Dataset Open Access

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

Aragao, David; Brandao-Neto, Jose; Carbery, Anna; Crawshaw, Adam; Dias, Alexandre; Douangamath, Alice; Dunnett, Louise; Fearon, Daren; Flaig, Ralf; Gehrtz, Paul; Hall, Dave; Krojer, Tobias; London, Nir; Lukacik, Petra; Mazzorana, Marco; McAuley, Katherine; Owen, David; Powell, Ailsa; Reddi, Rambabu; Resnick, Efrat; Skyner, Rachael; Snee, Matt; Strain-Damerell, Claire; Stuart, Dave; von Delft, Frank; Walsh, Martin; Wild, Conor; Williams, Mark; Winter, Graeme

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