Dataset Open Access

Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102201 (ID: mpro-x0755 / PDB: 5REP)

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-x0755 / PDB ID 5REP (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REP) - SARS-CoV-2 main protease in complex with PCM-0102201 (SMILES:Fc1cccc(F)c1S(=O)(=O)N2CCN(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

Files (355.2 MB)
Name Size
mpro-x0755.zip
md5:9fb9e6bc981c2c3dbd6edf3b16f298e1
355.2 MB Download
240
8
views
downloads
All versions This version
Views 240240
Downloads 88
Data volume 2.8 GB2.8 GB
Unique views 216216
Unique downloads 66

Share

Cite as