Published March 30, 2020
| Version v1
Dataset
Open
Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102169 (ID: mpro-x1385 / PDB: 5RFR)
Creators
- Aragao, David1
- Brandao-Neto, Jose1
- Carbery, Anna2
- Crawshaw, Adam1
- Dias, Alexandre1
- Douangamath, Alice1
- Dunnett, Louise1
- Fearon, Daren1
- Flaig, Ralf1
- Gehrtz, Paul3
- Hall, Dave1
- Krojer, Tobias2
- London, Nir3
- Lukacik, Petra1
- Mazzorana, Marco1
- McAuley, Katherine1
- Owen, David1
- Powell, Ailsa1
- Reddi, Rambabu3
- Resnick, Efrat3
- Skyner, Rachael2
- Snee, Matt4
- Strain-Damerell, Claire1
- Stuart, Dave1
- von Delft, Frank5
- Walsh, Martin1
- Wild, Conor2
- Williams, Mark1
- Winter, Graeme1
- 1. Diamond Light Source
- 2. SGC-Oxford
- 3. Weizmann Institute, Israel
- 4. Diamond Light Source / University of Manchester
- 5. SGC-Oxford / Diamond Light Source
Description
Raw diffraction data for mpro-x1385 / PDB ID 5RFR (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RFR) - SARS-CoV-2 main protease in complex with PCM-0102169 (SMILES:ClCC(=O)N1CCN(Cc2ccc(Br)s2)CC1) 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
mpro-x1385.zip
Files
(667.3 MB)
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