Dataset Open Access

Raw diffraction data for structure of SARS-CoV-2 main protease with Z271004858 (ID: mpro-x1119 / PDB: 5RF8)

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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{
  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.3731261", 
  "title": "Raw diffraction data for structure of SARS-CoV-2 main protease with Z271004858 (ID: mpro-x1119 / PDB: 5RF8)", 
  "issued": {
    "date-parts": [
      [
        2020, 
        3, 
        30
      ]
    ]
  }, 
  "abstract": "Raw diffraction data for mpro-x1119 / PDB ID 5RF8 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RF8) - SARS-CoV-2 main protease in complex with Z271004858 (SMILES:NC=1C=CC(=CC1)S(=O)(=O)NC=2C=CC=CN2) 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. \n\nFor more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html", 
  "author": [
    {
      "family": "Aragao, David"
    }, 
    {
      "family": "Brandao-Neto, Jose"
    }, 
    {
      "family": "Carbery, Anna"
    }, 
    {
      "family": "Crawshaw, Adam"
    }, 
    {
      "family": "Dias, Alexandre"
    }, 
    {
      "family": "Douangamath, Alice"
    }, 
    {
      "family": "Dunnett, Louise"
    }, 
    {
      "family": "Fearon, Daren"
    }, 
    {
      "family": "Flaig, Ralf"
    }, 
    {
      "family": "Gehrtz, Paul"
    }, 
    {
      "family": "Hall, Dave"
    }, 
    {
      "family": "Krojer, Tobias"
    }, 
    {
      "family": "London, Nir"
    }, 
    {
      "family": "Lukacik, Petra"
    }, 
    {
      "family": "Mazzorana, Marco"
    }, 
    {
      "family": "McAuley, Katherine"
    }, 
    {
      "family": "Owen, David"
    }, 
    {
      "family": "Powell, Ailsa"
    }, 
    {
      "family": "Reddi, Rambabu"
    }, 
    {
      "family": "Resnick, Efrat"
    }, 
    {
      "family": "Skyner, Rachael"
    }, 
    {
      "family": "Snee, Matt"
    }, 
    {
      "family": "Strain-Damerell, Claire"
    }, 
    {
      "family": "Stuart, Dave"
    }, 
    {
      "family": "von Delft, Frank"
    }, 
    {
      "family": "Walsh, Martin"
    }, 
    {
      "family": "Wild, Conor"
    }, 
    {
      "family": "Williams, Mark"
    }, 
    {
      "family": "Winter, Graeme"
    }
  ], 
  "type": "dataset", 
  "id": "3731261"
}
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