{
  "code": "SASDE24",
  "status": "Published",
  "type_of_curve": "SEC-SAS",
  "angular_unit": "1/nm",
  "project": {
    "title": "Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes.",
    "publication": {
      "title": "Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes.",
      "author_list": "Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA",
      "journal": "Angew Chem Int Ed Engl",
      "doi": "10.1002/anie.201810470",
      "pmid": "30605929",
      "published_date": "2019 Jan 3"
    },
    "status": "released",
    "submitted_date": "2018-09-06",
    "released_date": "2019-01-08"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDE24.out",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDE24.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE24_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE24_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDE24_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE24_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDE24.sascif",
  "experiment": {
    "instrument": {
      "detector": {
        "type": "Dectris",
        "name": "Pilatus 1M",
        "resolution": 172.0
      },
      "name": "ESRF",
      "city": "Grenoble",
      "country": "France",
      "beamline_name": "BM29",
      "beam_geometry": "",
      "type_of_source": "X-ray synchrotron",
      "point_source": null,
      "line_collimation": null,
      "sample_path_length": null,
      "line_collimation_slitlength": null,
      "line_collimation_integrationwidth": null,
      "xray_energy": null,
      "beam_profile_ah": null,
      "beam_profile_al": null
    },
    "sample": {
      "molecule": [
        {
          "long_name": "Tryparedoxin",
          "short_name": null,
          "sequence": "GSGLAKYLPGATNLLSKSGEVSLGSLVGKTVFLYFSASWCPPCRG\r\nFTPVLAEFYEKHHVAKNFEVVLISWDENESDFHDYYGKMPWLALPFDQRSTVSELGKTFG\r\nVESIPTLITINADTGAIIGTQARTRVIEDPDGANFPWPN",
          "organism": "Trypanosoma brucei brucei",
          "uniprot_code": "O77404",
          "uniprot_range_first": 2,
          "uniprot_range_last": 144,
          "oligomerization": "unknown",
          "molecular_type": "protein",
          "uniprot_sequence": "MSGLAKYLPGATNLLSKSGEVSLGSLVGKTVFLYFSASWCPPCRGFTPVLAEFYEKHHVA\nKNFEVVLISWDENESDFHDYYGKMPWLALPFDQRSTVSELGKTFGVESIPTLITINADTG\nAIIGTQARTRVIEDPDGANFPWPN",
          "mw": 15.817,
          "total_mw": 15.817,
          "number_molecules": 0,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": null
        }
      ],
      "buffer": {
        "name": "10 mM HEPES pH 7.5, 50 mM NaCl",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 7.5,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Tryparedoxin, in the presence of inhibitor CFT (2-(chloromethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one)",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": "EMBL",
            "address": "Grenoble, France",
            "full_name": "European Molecular Biology Laboratory (EMBL) - Grenoble Outstation",
            "webpage": "https://www.embl.fr/"
          }
        ],
        "contributor_name": "Martha",
        "contributor_surname": "Brennich",
        "orcid": null
      }
    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2018-05-31",
    "storage_temperature": 20.0,
    "cell_temperature": 20.0,
    "exposure_time": 1.0,
    "number_of_frames": null,
    "wavelength": 0.099,
    "sample_detector_distance": 2.869,
    "concentration_min": null,
    "concentration_max": null,
    "sample_volume": null,
    "flow_rate": null,
    "s_min": 0.037,
    "s_max": 4.928,
    "total_exposure_time": null,
    "seccolumn": null
  },
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    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDE24_fit1_model1_img.png",
          "software": "SASREF MX",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": null,
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          "model_mw": 31.77,
          "bead_radius": null,
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          "symmetry": null,
          "comment": null,
          "user": 119
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/run2-1_CSaDOfc_fit_img.png",
      "software": "SASREF MX",
      "chi_square_value": 1.34,
      "p_value": 0.114645,
      "fit_residual_plot": "run2-1_CSaDOfc_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDE24_fit1.fit",
      "fit_log": null,
      "software_version": null,
      "description": ""
    },
    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDE24_fit2_model1_img.png",
          "software": "GASBOR",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "dummy",
          "software_version": null,
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDE24_fit2_model1.pdb",
          "model_mw": null,
          "bead_radius": 1.9,
          "log": null,
          "symmetry": null,
          "comment": null,
          "user": 119
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/gasmxGgP1_3-1_fit_img.png",
      "software": "GASBOR",
      "chi_square_value": 1.33,
      "p_value": 0.174847,
      "fit_residual_plot": "gasmxGgP1_3-1_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDE24_fit2.fir",
      "fit_log": null,
      "software_version": null,
      "description": ""
    },
    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDE24_fit3_model1_img.png",
          "software": "PDB (Protein Data Bank)",
          "pdb_link": [
            {
              "pdb_code": "6gxy",
              "ext_code": "6GXY",
              "ext_type": "pdb",
              "difference_with_model": "identical"
            }
          ],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": null,
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDE24_fit3_model1.pdb",
          "model_mw": 31.77,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": null,
          "user": 119
        },
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDE24_fit3_model2_img.png",
          "software": "Other",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": null,
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDE24_fit3_model2.pdb",
          "model_mw": 15.88,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
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        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/TpxWTC1_950_969_crp_fit_img.png",
      "software": "OLIGOMER",
      "chi_square_value": 1.4,
      "p_value": 0.058164,
      "fit_residual_plot": "TpxWTC1_950_969_crp_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDE24_fit3.fit",
      "fit_log": null,
      "software_version": null,
      "description": "Fit to mixture of crystallographic  monomer and dimer: 49.7% monomer"
    }
  ],
  "estimated_volume_method": null,
  "pddf_software": "ATSAS GNOM",
  "pddf_software_version": "5.0",
  "i0_calibration_standard": null,
  "description": "SEC column type: GE Healthcare S75 3.2/300; Sample Injection Concentration = 10 mg/mL;\r\nColumn flow-rate = 0.1 mL/min.",
  "experiment_description": "Synchrotron SAXS data from solutions of Tryparedoxin, in the presence of CFT in 10 mM HEPES pH 7.5, 50 mM NaCl, pH 7.5 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Dectris Pilatus 1M detector at a sample-detector distance of 2.9 m and at a wavelength of λ = 0.099 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). The data were collected using in-line size exclusion chromatography (SEC)-SAXS at 20°C.",
  "tags": [],
  "intensity_unit": null,
  "experimental_mw": 26.0,
  "experimental_mw_error": null,
  "guinier_i0_mw": null,
  "guinier_i0_mw_error": null,
  "porod_mw": 26.0,
  "porod_mw_error": null,
  "pddf_i0": 14.56,
  "pddf_i0_error": null,
  "guinier_i0": 14.51,
  "guinier_i0_error": 0.02,
  "pddf_rg": 2.069,
  "pddf_rg_error": null,
  "guinier_rg": 2.03,
  "guinier_rg_error": 0.03,
  "pddf_dmax": 6.88,
  "pddf_dmax_error": null,
  "porod_volume": 44.69,
  "porod_volume_error": null,
  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 37,
  "guinier_point_last": 129,
  "pddf_point_first": null,
  "pddf_point_last": null,
  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDE24_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2019-12-06T13:07:15.624532+01:00",
  "bragg_peak": []
}