Dataset Open Access

Raw diffraction data for structure of SARS-CoV-2 main protease with Z217038356 (ID: mpro-x1132 / PDB: 5RF9)

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


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      <creatorName>Dias, Alexandre</creatorName>
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      <creatorName>Douangamath, Alice</creatorName>
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      <creatorName>Dunnett, Louise</creatorName>
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      <creatorName>Fearon, Daren</creatorName>
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      <creatorName>Flaig, Ralf</creatorName>
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      <creatorName>Gehrtz, Paul</creatorName>
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      <creatorName>Krojer, Tobias</creatorName>
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      <creatorName>Powell, Ailsa</creatorName>
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      <creatorName>Reddi, Rambabu</creatorName>
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    <creator>
      <creatorName>Resnick, Efrat</creatorName>
      <givenName>Efrat</givenName>
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      <creatorName>Snee, Matt</creatorName>
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      <familyName>Snee</familyName>
      <affiliation>Diamond Light Source / University of Manchester</affiliation>
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    <creator>
      <creatorName>Strain-Damerell, Claire</creatorName>
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      <creatorName>Stuart, Dave</creatorName>
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      <creatorName>Walsh, Martin</creatorName>
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      <creatorName>Wild, Conor</creatorName>
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      <creatorName>Williams, Mark</creatorName>
      <givenName>Mark</givenName>
      <familyName>Williams</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Winter, Graeme</creatorName>
      <givenName>Graeme</givenName>
      <familyName>Winter</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Raw diffraction data for structure of SARS-CoV-2 main protease with Z217038356 (ID: mpro-x1132 / PDB: 5RF9)</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2020</publicationYear>
  <subjects>
    <subject>COVID-19</subject>
    <subject>SARS-CoV-2 main protease</subject>
    <subject>automated upload</subject>
    <subject>PDB:5RF9</subject>
    <subject>Diamond Light Source / MX / XChem</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2020-03-30</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/3731270</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.3731269</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/covid-19</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/mx</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/publicdomain/zero/1.0/legalcode">Creative Commons Zero v1.0 Universal</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">Raw diffraction data for mpro-x1132 / PDB ID 5RF9 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RF9) - SARS-CoV-2 main protease in complex with Z217038356 (SMILES:CC1CN(CCO1)C(=O)CN2C=CC=N2) 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</description>
  </descriptions>
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