Metal-bound hETHE1

{
  "code": "SASDAF7",
  "status": "Published",
  "type_of_curve": "Merged",
  "angular_unit": "1/nm",
  "project": {
    "title": "Distinctive features and structural significance of the Homo sapiens ethylmalonic encephalopathy protein iron binding site",
    "publication": null,
    "status": "released",
    "submitted_date": "2015-02-17",
    "released_date": "2017-02-08"
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  "experiment": {
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      "detector": {
        "type": "Custom-built",
        "name": "Pilatus 1M-W",
        "resolution": 0.172
      },
      "name": "DORIS III, DESY",
      "city": "Hamburg",
      "country": "Germany",
      "beamline_name": "EMBL X33",
      "beam_geometry": "0.60",
      "type_of_source": "X-ray synchrotron",
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      "line_collimation": null,
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      "line_collimation_slitlength": null,
      "line_collimation_integrationwidth": null,
      "xray_energy": null,
      "beam_profile_ah": null,
      "beam_profile_al": null
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    "sample": {
      "molecule": [
        {
          "long_name": "Persulfide dioxygenase ETHE1, mitochondrial",
          "short_name": "hETHE1",
          "sequence": null,
          "organism": "Homo sapiens",
          "uniprot_code": "O95571",
          "uniprot_range_first": null,
          "uniprot_range_last": null,
          "oligomerization": "dimer",
          "molecular_type": "protein",
          "uniprot_sequence": "MAEAVLRVARRQLSQRGGSGAPILLRQMFEPVSCTFTYLLGDRESREAVLIDPVLETAPR\nDAQLIKELGLRLLYAVNTHCHADHITGSGLLRSLLPGCQSVISRLSGAQADLHIEDGDSI\nRFGRFALETRASPGHTPGCVTFVLNDHSMAFTGDALLIRGCGRTDFQQGCAKTLYHSVHE\nKIFTLPGDCLIYPAHDYHGFTVSTVEEERTLNPRLTLSCEEFVKIMGNLNLPKPQQIDFA\nVPANMRCGVQTPTA",
          "mw": 27.873,
          "total_mw": 55.746,
          "number_molecules": 2,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": null
        }
      ],
      "buffer": {
        "name": "50 mM Tris 150 mM NaCl 2 mM TCEP",
        "concentration_unit": "mM",
        "comment": "TCEP does not reduce metals in solution, but prevents aggregation and precipitation of the protein",
        "additive": "150 mM NaCl\r\n2 mM TCEP",
        "concentration": 50.0,
        "pka": null,
        "ph": 8.0,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Metal-bound hETHE1",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": "EMBL-Hamburg",
            "address": "Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany",
            "full_name": "European Molecular Biology Laboratory (EMBL) - Hamburg outstation",
            "webpage": "http://www.embl-hamburg.de/index.php"
          }
        ],
        "contributor_name": "Al",
        "contributor_surname": "Kikhney",
        "orcid": "https://orcid.org/0000-0003-1321-3956"
      },
      {
        "affiliation": [
          {
            "short_name": null,
            "address": "Bolzano, Italy",
            "full_name": "Libera Università di Bozen-Bolzano",
            "webpage": "https://www.unibz.it/"
          }
        ],
        "contributor_name": "Marco",
        "contributor_surname": "Salomone-Stagni",
        "orcid": null
      }
    ],
    "concentration_method": null,
    "concentration_unit": "mg/ml",
    "date": "2007-10-21",
    "storage_temperature": null,
    "cell_temperature": 9.0,
    "exposure_time": 30.0,
    "number_of_frames": 4,
    "wavelength": 0.15,
    "sample_detector_distance": 2.7,
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    "concentration_max": 5.0,
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    "flow_rate": null,
    "s_min": 0.083,
    "s_max": 4.981,
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          "user": 4
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              "ext_code": "4CHL",
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          "log": "https://www.sasbdb.org/media/log_files/4CHL01.log",
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          "user": 4
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      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDAF7_fit2_fixed_fit_img.png",
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  "estimated_volume_method": "DAMMIN",
  "pddf_software": "ATSAS GNOM",
  "pddf_software_version": "GNOM 5.0",
  "i0_calibration_standard": null,
  "description": "Metal-bound hETHE1 was shown by SAXS to be a globular protein compatible with a dimeric hETHE1 in solution. The calculated scattering pattern from a high resolution model of dimeric ETHE1 is in a very good agreement (χ2 value of 1.5) with the experimental data from hETHE1. The low resolution shape of metal-bound hETHE1 was reconstructed ab initio using DAMMIN with P2 symmetry imposed. The ab initio model fits the experimental data with a discrepancy χ2 = 1.3 and is in a good agreement with the high resolution ETHE1 structure.",
  "experiment_description": null,
  "tags": [
    "X33"
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  "experimental_mw_error": 4.0,
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  "pddf_rg_error": 0.004,
  "guinier_rg": 2.47,
  "guinier_rg_error": 0.24,
  "pddf_dmax": 7.5,
  "pddf_dmax_error": 1.0,
  "porod_volume": 70.0,
  "porod_volume_error": 7.0,
  "estimated_volume": 78.87,
  "estimated_volume_error": null,
  "guinier_point_first": 32,
  "guinier_point_last": 293,
  "pddf_point_first": 32,
  "pddf_point_last": 1400,
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  "symmetry": null,
  "last_modified": "2023-05-25T11:21:52.654103+02:00",
  "bragg_peak": []
}

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