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Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102974 (ID: mpro-x1458 / PDB: 5RFY)

Research datakeyboard_double_arrow_right Dataset 30 Mar 2020Publisher:Zenodo

Authors: Aragao, David; Brandao-Neto, Jose; Carbery, Anna; Crawshaw, Adam; Dias, Alexandre; Douangamath, Alice; Dunnett, Louise; +22 Authors

doi: 10.5281/zenodo.3731546 , 10.5281/zenodo.3731545

Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102974 (ID: mpro-x1458 / PDB: 5RFY)

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Abstract

Raw diffraction data for mpro-x1458 / PDB ID 5RFY (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RFY) - SARS-CoV-2 main protease in complex with PCM-0102974 (SMILES:CC(C)N(C)C(=O)C1CCN(CC1)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

Related Organizations

University of Salford
United Kingdom

Keywords

SARS-CoV-2 main protease, Diamond Light Source / MX / XChem, PDB:5RFY, COVID-19, automated upload

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