Dataset Open Access

Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102575 (ID: mpro-x1351 / PDB: 5RFK)

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-x1351 / PDB ID 5RFK (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RFK) - SARS-CoV-2 main protease in complex with PCM-0102575 (SMILES:ClCC(=O)N1CCC(CC1)NC(=O)c2ccccc2) 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 (654.6 MB)
Name Size
mpro-x1351.zip
md5:bf7636cfd40193c409ae88d948cff04d
654.6 MB Download
169
5
views
downloads
All versions This version
Views 169169
Downloads 55
Data volume 3.3 GB3.3 GB
Unique views 146146
Unique downloads 55

Share

Cite as