Dataset Open Access

Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102277 (ID: mpro-x1334 / PDB: 5RFH)

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


JSON-LD (schema.org) Export

{
  "description": "Raw diffraction data for mpro-x1334 / PDB ID 5RFH (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RFH) - SARS-CoV-2 main protease in complex with PCM-0102277 (SMILES:ClCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1) 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", 
  "license": "https://creativecommons.org/publicdomain/zero/1.0/legalcode", 
  "creator": [
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Aragao, David"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Brandao-Neto, Jose"
    }, 
    {
      "affiliation": "SGC-Oxford", 
      "@type": "Person", 
      "name": "Carbery, Anna"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Crawshaw, Adam"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Dias, Alexandre"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Douangamath, Alice"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Dunnett, Louise"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Fearon, Daren"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Flaig, Ralf"
    }, 
    {
      "affiliation": "Weizmann Institute, Israel", 
      "@type": "Person", 
      "name": "Gehrtz, Paul"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Hall, Dave"
    }, 
    {
      "affiliation": "SGC-Oxford", 
      "@type": "Person", 
      "name": "Krojer, Tobias"
    }, 
    {
      "affiliation": "Weizmann Institute, Israel", 
      "@type": "Person", 
      "name": "London, Nir"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Lukacik, Petra"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Mazzorana, Marco"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "McAuley, Katherine"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Owen, David"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Powell, Ailsa"
    }, 
    {
      "affiliation": "Weizmann Institute, Israel", 
      "@type": "Person", 
      "name": "Reddi, Rambabu"
    }, 
    {
      "affiliation": "Weizmann Institute, Israel", 
      "@type": "Person", 
      "name": "Resnick, Efrat"
    }, 
    {
      "affiliation": "SGC-Oxford", 
      "@type": "Person", 
      "name": "Skyner, Rachael"
    }, 
    {
      "affiliation": "Diamond Light Source / University of Manchester", 
      "@type": "Person", 
      "name": "Snee, Matt"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Strain-Damerell, Claire"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Stuart, Dave"
    }, 
    {
      "affiliation": "SGC-Oxford / Diamond Light Source", 
      "@type": "Person", 
      "name": "von Delft, Frank"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Walsh, Martin"
    }, 
    {
      "affiliation": "SGC-Oxford", 
      "@type": "Person", 
      "name": "Wild, Conor"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Williams, Mark"
    }, 
    {
      "affiliation": "Diamond Light Source", 
      "@type": "Person", 
      "name": "Winter, Graeme"
    }
  ], 
  "url": "https://zenodo.org/record/3731376", 
  "datePublished": "2020-03-30", 
  "keywords": [
    "COVID-19", 
    "SARS-CoV-2 main protease", 
    "automated upload", 
    "PDB:5RFH", 
    "Diamond Light Source / MX / XChem"
  ], 
  "@context": "https://schema.org/", 
  "distribution": [
    {
      "contentUrl": "https://zenodo.org/api/files/0fb9eff0-ba2c-49ff-8fb3-ebff2eb16a8e/mpro-x1334.zip", 
      "encodingFormat": "zip", 
      "@type": "DataDownload"
    }
  ], 
  "identifier": "https://doi.org/10.5281/zenodo.3731376", 
  "@id": "https://doi.org/10.5281/zenodo.3731376", 
  "@type": "Dataset", 
  "name": "Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102277 (ID: mpro-x1334 / PDB: 5RFH)"
}
216
5
views
downloads
All versions This version
Views 216216
Downloads 55
Data volume 3.1 GB3.1 GB
Unique views 190190
Unique downloads 44

Share

Cite as