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Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102241 (ID: mpro-x0689 / PDB: 5REJ)

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-x0689 / PDB ID 5REJ (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REJ) - SARS-CoV-2 main protease in complex with PCM-0102241 (SMILES:ClCC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2) 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

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