SEC-SAXS data of wildtype Melanotaenia fluviatilis apo estrogen receptor alpha ligand binding domain (LBD) at pH 7.5

{
  "code": "SASDWD7",
  "status": "Published",
  "type_of_curve": "Co-flow SEC-SAS",
  "angular_unit": "1/A",
  "project": {
    "title": "A ternary switch model governing ERα ligand binding domain conformation.",
    "publication": {
      "title": "A ternary switch model governing ERα ligand binding domain conformation.",
      "author_list": "McDougal DP, Pederick JL, Novick SJ, Jovcevski B, Warrender AK, Pascal BD, Griffin PR, Bruning JB",
      "journal": "Nat Commun",
      "doi": "10.1038/s41467-025-65323-9",
      "pmid": "41285747",
      "published_date": "2025 Nov 24"
    },
    "status": "released",
    "submitted_date": "2025-02-06",
    "released_date": "2025-11-25"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDWD7.out",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDWD7.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWD7_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWD7_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDWD7_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWD7_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDWD7.sascif",
  "experiment": {
    "instrument": {
      "detector": {
        "type": null,
        "name": "Pilatus3 X 2M",
        "resolution": 172.0
      },
      "name": "Australian Synchrotron",
      "city": "Melbourne",
      "country": "Australia",
      "beamline_name": "BioSAXS",
      "beam_geometry": null,
      "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": "Estrogen receptor alpha",
          "short_name": "ERalpha",
          "sequence": "MHHHHHHMPPEQVLILLQGAEPPILCSRQKLSRPYTEVTMMTLLTSMADKELVHMIAWAKK\r\nLPGFLQLSLHDQVLLLESSWLEVLMIGLIWRSIHCPGKLIFAQDLILDRNEGDCVEGMTE\r\nIFDMLLATASRFRLLKLKPEEFLCLKAIILLNSGAFSFCTGTMEPLHDSTAVQNMLDTIT\r\nDALIHHISQSGYSAQQQARRQAQLLLLLSHIRHMSNKGMEHLYSMKCKNKVPLYDLLLEM\r\nLDAHHLHQPV",
          "organism": "Melanotaenia fluviatilis",
          "uniprot_code": "D6N7U3",
          "uniprot_range_first": 310,
          "uniprot_range_last": 553,
          "oligomerization": "dimer",
          "molecular_type": "protein",
          "uniprot_sequence": "MFKRQSLAQRKQPFRPGPRPRISPASSELETLSPPRLSPSPRGPLTDMYPEESRGSGGVA\nAVDFLEGTYDYAVPTPAPTPVYSHSTTGYYSGPLDAHGPPSDGSLQSLGSGPTSPLVFVP\nSSPRLSPFMHAPSHHYLETTSTPIYRSSHQPASREDQCDTRDEACDVGELGAGAGAFEMA\nKETRFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDRNRRKSCQA\nCRLRKCYEVGMMKGGVRKDRGRVLRRDKRRSGISDRKAAKGLEHKTAAHHDGRKRSSSAV\nEGGKSSMTCMPPEQVLILLQGAEPPILCSRQKLSRPYTEVTMMTLLTSMADKELVHMIAW\nAKKLPGFLQLSLHDQVLLLESSWLEVLMIGLIWRSIHCPGKLIFAQDLILDRNEGDCVEG\nMTEIFDMLLATASRFRLLKLKPEEFLCLKAIILLNSGAFSFCTGTMEPLHDSTAVQNMLD\nTITDALIHHISQSGYSAQQQARRQAQLLLLLSHIRHMSNKGMEHLYSMKCKNKVPLYDLL\nLEMLDAHHLHQPVKSAQSETLRDAPFTSSSSSSAGSSSGPRGSHESQSRAPSAPSVLQYG\nGSCSDCAHAL",
          "mw": 28.676,
          "total_mw": 57.352,
          "number_molecules": 2,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": ""
        }
      ],
      "buffer": {
        "name": "20 mM Tris-HCl pH 7.5, 150 mM NaCl, 5% glycerol, 2 mM TCEP",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 7.5,
        "deuteration": null
      },
      "purity_method": null,
      "name": "SEC-SAXS data of wildtype Melanotaenia fluviatilis apo estrogen receptor alpha ligand binding domain (LBD) at pH 7.5",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": null,
            "address": null,
            "full_name": "The University of Adelaide",
            "webpage": null
          }
        ],
        "contributor_name": "Daniel",
        "contributor_surname": "McDougal",
        "orcid": "https://orcid.org/0000-0003-4499-6789"
      }
    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2024-11-09",
    "storage_temperature": 19.8,
    "cell_temperature": 19.8,
    "exposure_time": 1.0,
    "number_of_frames": 641,
    "wavelength": 0.1,
    "sample_detector_distance": 2.15,
    "concentration_min": null,
    "concentration_max": 5.0,
    "sample_volume": 80.0,
    "flow_rate": 0.3,
    "s_min": 0.098,
    "s_max": 3.0,
    "total_exposure_time": null,
    "seccolumn": null
  },
  "fits": [
    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDWD7_fit1_model1_img.png",
          "software": "DAMMIF",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "dummy",
          "software_version": null,
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDWD7_fit1_model1.cif",
          "model_mw": null,
          "bead_radius": null,
          "log": "https://www.sasbdb.org/media/log_files/refine_A_S_SM_WT_rfERa_apo_bbce343c_E_upQ2JLg.log",
          "symmetry": "P1",
          "comment": null,
          "user": 1187
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDWD7_fit1_fixed_fit_img.png",
      "software": "DAMMIF",
      "chi_square_value": 1.215,
      "p_value": 0.1774,
      "fit_residual_plot": "SASDWD7_fit1_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDWD7_fit1.fir",
      "fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/refine_A_S_SM_WT_rfERa_apo_bbce343c_E.log",
      "software_version": "3.2.1",
      "description": ""
    }
  ],
  "estimated_volume_method": null,
  "pddf_software": "ATSAS GNOM",
  "pddf_software_version": null,
  "i0_calibration_standard": null,
  "description": null,
  "experiment_description": null,
  "tags": [],
  "intensity_unit": "1/cm",
  "experimental_mw": 58.1,
  "experimental_mw_error": null,
  "guinier_i0_mw": null,
  "guinier_i0_mw_error": null,
  "porod_mw": 59.7,
  "porod_mw_error": null,
  "pddf_i0": 0.008298,
  "pddf_i0_error": null,
  "guinier_i0": 0.00829762,
  "guinier_i0_error": null,
  "pddf_rg": 2.5,
  "pddf_rg_error": null,
  "guinier_rg": 2.503,
  "guinier_rg_error": 0.083,
  "pddf_dmax": 9.2,
  "pddf_dmax_error": null,
  "porod_volume": 71.9,
  "porod_volume_error": null,
  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 5,
  "guinier_point_last": 57,
  "pddf_point_first": null,
  "pddf_point_last": null,
  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDWD7_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2025-11-25T14:30:39.598137+01:00",
  "bragg_peak": []
}

{
  "code": "SASDWD7",
  "status": "success",
  "started_at": "2026-08-11T15:27:45.532960+00:00",
  "finished_at": "2026-08-11T15:27:53.270612+00:00",
  "source_last_modified": "2025-11-25T14:30:39.598137+01:00",
  "files": [
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/rest-api/entry/summary/SASDWD7/",
      "path": "/data/saxsdb/sasbdb/entries/d7/sasdwd7/source/summary.json",
      "size": 7382,
      "sha256": "d0047c3d94a8bb71ad9a4feb75119cbdb7938983f334686a3779e752d40dea1f"
    },
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/media/intensities_files/SASDWD7.dat",
      "path": "/data/saxsdb/sasbdb/entries/d7/sasdwd7/source/SASDWD7.dat",
      "size": 22476,
      "sha256": "2f4b361b9aeb8e1b1b8255a12e076d5a4e970f6a5197a23555e0b168bec0c8d0",
      "role": "curve"
    },
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/media/p_of_R_files/SASDWD7.out",
      "path": "/data/saxsdb/sasbdb/entries/d7/sasdwd7/source/SASDWD7.out",
      "size": 41730,
      "sha256": "6cbc1b10e413bc9493bf085096e38125247f41bbb3c0f0b33e68841d6d410824",
      "role": "pddf"
    },
    {
      "status": "not_available",
      "url": "https://www.sasbdb.org/media/sascif/sascif_files/SASDWD7.sascif",
      "path": "/data/saxsdb/sasbdb/entries/d7/sasdwd7/source/SASDWD7.sascif",
      "role": "sascif"
    },
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/media/zip_directories/SASDWD7.zip",
      "path": "/data/saxsdb/sasbdb/entries/d7/sasdwd7/source/SASDWD7.zip",
      "size": 45559,
      "sha256": "26970849c34d51828a580562ed7330fc1095b1100e189b3d4ddb750765ad1edf",
      "role": "full_entry_zip",
      "zip_member_count": 4,
      "zip_validation": "central_directory_readable"
    }
  ]
}