March 30, 2020 Dataset Open Access

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.3730917", 
  "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"
    }
  ], 
  "issued": {
    "date-parts": [
      [
        2020, 
        3, 
        30
      ]
    ]
  }, 
  "abstract": "Raw diffraction data for mpro-x0678 / PDB ID 5R84 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5R84) - SARS-CoV-2 main protease in complex with Z31792168 (SMILES:O=C(CC1CCCCC1)NC=2C=CC=NC2) 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", 
  "title": "Raw diffraction data for structure of SARS-CoV-2 main protease with Z31792168 (ID: mpro-x0678 / PDB: 5R84)", 
  "type": "dataset", 
  "id": "3730917"
}