research data . Dataset . 2020

Raw diffraction data for structure of SARS-CoV-2 main protease with Z111507846 (ID: mpro-x0540 / PDB: 5REH)

Aragao, David; Brandao-Neto, Jose; Carbery, Anna; Crawshaw, Adam; Dias, Alexandre; Douangamath, Alice; Dunnett, Louise; Fearon, Daren; Flaig, Ralf; Gehrtz, Paul; ...
Open Access
  • Published: 30 Mar 2020
  • Publisher: Zenodo
Abstract
Raw diffraction data for mpro-x0540 / PDB ID 5REH (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REH) - SARS-CoV-2 main protease in complex with Z111507846 (SMILES:O=C(NCCC=1C=CN=CC1)NC2CCCCC2) 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
Subjects
free text keywords: COVID-19, SARS-CoV-2 main protease, automated upload, PDB:5REH, Diamond Light Source / MX / XChem
Communities
COVID-19
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Zenodo
Dataset . 2020
Provider: Zenodo
Zenodo
Dataset . 2020
Provider: Datacite
Zenodo
Dataset . 2020
Provider: Datacite
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