Dataset Open Access

Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102121 (ID: mpro-x1402 / PDB: 5RFU)

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-x1402 / PDB ID 5RFU (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RFU) - SARS-CoV-2 main protease in complex with PCM-0102121 (SMILES:ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(Cl)s2) 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 (737.6 MB)
Name Size
mpro-x1402.zip
md5:779781b65dec38a9145f7abb946c9417
737.6 MB Download
266
6
views
downloads
All versions This version
Views 266266
Downloads 66
Data volume 4.4 GB4.4 GB
Unique views 232232
Unique downloads 55

Share

Cite as