Dataset Open Access

Raw diffraction data for structure of SARS-CoV-2 main protease with Z509756472 (ID: mpro-x1249 / PDB: 5RFE)

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


MARC21 XML Export

<?xml version='1.0' encoding='UTF-8'?>
<record xmlns="http://www.loc.gov/MARC21/slim">
  <leader>00000nmm##2200000uu#4500</leader>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">COVID-19</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">SARS-CoV-2 main protease</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">automated upload</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">PDB:5RFE</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">Diamond Light Source / MX / XChem</subfield>
  </datafield>
  <controlfield tag="005">20200330075815.0</controlfield>
  <controlfield tag="001">3731353</controlfield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Brandao-Neto, Jose</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">SGC-Oxford</subfield>
    <subfield code="a">Carbery, Anna</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Crawshaw, Adam</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Dias, Alexandre</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Douangamath, Alice</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Dunnett, Louise</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Fearon, Daren</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Flaig, Ralf</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Weizmann Institute, Israel</subfield>
    <subfield code="a">Gehrtz, Paul</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Hall, Dave</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">SGC-Oxford</subfield>
    <subfield code="a">Krojer, Tobias</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Weizmann Institute, Israel</subfield>
    <subfield code="a">London, Nir</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Lukacik, Petra</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Mazzorana, Marco</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">McAuley, Katherine</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Owen, David</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Powell, Ailsa</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Weizmann Institute, Israel</subfield>
    <subfield code="a">Reddi, Rambabu</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Weizmann Institute, Israel</subfield>
    <subfield code="a">Resnick, Efrat</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">SGC-Oxford</subfield>
    <subfield code="a">Skyner, Rachael</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source / University of Manchester</subfield>
    <subfield code="a">Snee, Matt</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Strain-Damerell, Claire</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Stuart, Dave</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">SGC-Oxford / Diamond Light Source</subfield>
    <subfield code="a">von Delft, Frank</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Walsh, Martin</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">SGC-Oxford</subfield>
    <subfield code="a">Wild, Conor</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Williams, Mark</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Winter, Graeme</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">1432979457</subfield>
    <subfield code="z">md5:6f1c276b5690e4786f8407b388afbb7a</subfield>
    <subfield code="u">https://zenodo.org/record/3731353/files/mpro-x1249.zip</subfield>
  </datafield>
  <datafield tag="542" ind1=" " ind2=" ">
    <subfield code="l">open</subfield>
  </datafield>
  <datafield tag="260" ind1=" " ind2=" ">
    <subfield code="c">2020-03-30</subfield>
  </datafield>
  <datafield tag="909" ind1="C" ind2="O">
    <subfield code="p">openaire_data</subfield>
    <subfield code="p">user-covid-19</subfield>
    <subfield code="p">user-mx</subfield>
    <subfield code="o">oai:zenodo.org:3731353</subfield>
  </datafield>
  <datafield tag="100" ind1=" " ind2=" ">
    <subfield code="u">Diamond Light Source</subfield>
    <subfield code="a">Aragao, David</subfield>
  </datafield>
  <datafield tag="245" ind1=" " ind2=" ">
    <subfield code="a">Raw diffraction data for structure of SARS-CoV-2 main protease with Z509756472 (ID: mpro-x1249 / PDB: 5RFE)</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">user-covid-19</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">user-mx</subfield>
  </datafield>
  <datafield tag="540" ind1=" " ind2=" ">
    <subfield code="u">https://creativecommons.org/publicdomain/zero/1.0/legalcode</subfield>
    <subfield code="a">Creative Commons Zero v1.0 Universal</subfield>
  </datafield>
  <datafield tag="650" ind1="1" ind2="7">
    <subfield code="a">cc-by</subfield>
    <subfield code="2">opendefinition.org</subfield>
  </datafield>
  <datafield tag="520" ind1=" " ind2=" ">
    <subfield code="a">Raw diffraction data for mpro-x1249 / PDB ID 5RFE (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RFE) - SARS-CoV-2 main protease in complex with Z509756472 (SMILES:O=C(NCC=1C=CC(C#N)=CC1)N2CCOCC2) 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</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="n">doi</subfield>
    <subfield code="i">isVersionOf</subfield>
    <subfield code="a">10.5281/zenodo.3731352</subfield>
  </datafield>
  <datafield tag="024" ind1=" " ind2=" ">
    <subfield code="a">10.5281/zenodo.3731353</subfield>
    <subfield code="2">doi</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">dataset</subfield>
  </datafield>
</record>
206
15
views
downloads
All versions This version
Views 206206
Downloads 1515
Data volume 21.5 GB21.5 GB
Unique views 181181
Unique downloads 1212

Share

Cite as