Deletion mutant of the suppressor of copper sensitivity C protein, PmScsC, with concentration series data

{
  "code": "SASDEQ4",
  "status": "Published",
  "type_of_curve": "Single concentration",
  "angular_unit": "1/A",
  "project": {
    "title": "Engineered variants provide new insight into the structural properties important for activity of the highly dynamic, trimeric protein disulfide isomerase ScsC from Proteus mirabilis.",
    "publication": {
      "title": "Engineered variants provide new insight into the structural properties important for activity of the highly dynamic, trimeric protein disulfide isomerase ScsC from Proteus mirabilis.",
      "author_list": "Furlong EJ, Kurth F, Premkumar L, Whitten AE, Martin JL",
      "journal": "Acta Crystallogr D Struct Biol",
      "doi": "10.1107/S2059798319000081",
      "pmid": "30950400",
      "published_date": "2019 Mar 1"
    },
    "status": "released",
    "submitted_date": "2018-09-18",
    "released_date": "2019-03-29"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDEQ4.out",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDEQ4.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEQ4_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEQ4_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDEQ4_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEQ4_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDEQ4.sascif",
  "experiment": {
    "instrument": {
      "detector": {
        "type": "Dectris",
        "name": "Pilatus 1M",
        "resolution": 172.0
      },
      "name": "Australian  Synchrotron",
      "city": "Melbourne",
      "country": "Australia",
      "beamline_name": "SAXS/WAXS",
      "beam_geometry": "Point",
      "type_of_source": "X-ray synchrotron",
      "point_source": true,
      "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": "Deletion mutant of PmScsC",
          "short_name": "PmScsCΔL",
          "sequence": "SNAALNAAQEKEVRALVRDTLVSNPEILEEAIMALQTKALASEHDALYNDAASPRIGAKDAKLVLVSFTDYNCPYCKRFDPLLEKITEQYPDVAVIIKPLPFKGESSAKASQAVLSVWKEDPKAFLALHQRLMQKKTMLDNASIEDAMKSTNTSKIKLTDDSLKTLQNNLELSRKLGIQGTPATVIGDTILPGAVDYDQLEIIVKEQLAKVKK",
          "organism": "Proteus mirabilis",
          "uniprot_code": "A0A1Z1SYD5",
          "uniprot_range_first": 22,
          "uniprot_range_last": 243,
          "oligomerization": "unknown",
          "molecular_type": "protein",
          "uniprot_sequence": "MKKTLSVLVISSLLFGANVQAAALNAAQEKEVRALVRDTLVSNPEILEEAIMALQTKKAD\nEQQAQFRQALASEHDALYNDAASPRIGAKDAKLVLVSFTDYNCPYCKRFDPLLEKITEQY\nPDVAVIIKPLPFKGESSAKASQAVLSVWKEDPKAFLALHQRLMQKKTMLDNASIEDAMKS\nTNTSKIKLTDDSLKTLQNNLELSRKLGIQGTPATVIGDTILPGAVDYDQLEIIVKEQLAK\nVKK",
          "mw": 23.438,
          "total_mw": 23.438,
          "number_molecules": 0,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": null
        }
      ],
      "buffer": {
        "name": "10mM HEPES, 150mM NaCl",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 7.4,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Deletion mutant of the suppressor of copper sensitivity C protein, PmScsC, with concentration series data",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": "ANSTO",
            "address": "Kirrawee DC, NSW 2232, Australia",
            "full_name": "Australian Nuclear Science and Technology Organisation",
            "webpage": ""
          }
        ],
        "contributor_name": "Andrew",
        "contributor_surname": "Whitten",
        "orcid": null
      }
    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2018-04-05",
    "storage_temperature": 4.0,
    "cell_temperature": 10.0,
    "exposure_time": 1.0,
    "number_of_frames": 38,
    "wavelength": 0.1033,
    "sample_detector_distance": 3.33,
    "concentration_min": null,
    "concentration_max": 10.0,
    "sample_volume": null,
    "flow_rate": null,
    "s_min": 0.16,
    "s_max": 3.634,
    "total_exposure_time": null,
    "seccolumn": null
  },
  "fits": [
    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEQ4_fit1_model1_img.png",
          "software": "PDB (Protein Data Bank)",
          "pdb_link": [
            {
              "pdb_code": "4xvw",
              "ext_code": "4XVW",
              "ext_type": "pdb",
              "difference_with_model": "identical"
            },
            {
              "pdb_code": "6mhh",
              "ext_code": "6MHH",
              "ext_type": "pdb",
              "difference_with_model": "identical"
            }
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          "software_version": null,
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          "model_mw": 69.23,
          "bead_radius": null,
          "log": null,
          "symmetry": "P3",
          "comment": "Monomer, dimer and trimer structures are all derived from this PDB (yet to be deposited)",
          "user": 111
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/PmScsCDL_10p0_nZbPwQE_fit_img.png",
      "software": "Other",
      "chi_square_value": 177.8886,
      "p_value": 0.0,
      "fit_residual_plot": "PmScsCDL_10p0_nZbPwQE_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDEQ4_fit1.fit",
      "fit_log": null,
      "software_version": "1",
      "description": "Fit from a linear combination of scattering profiles from monomeric, dimeric and trimeric PmScsCΔL"
    }
  ],
  "estimated_volume_method": null,
  "pddf_software": "ATSAS GNOM",
  "pddf_software_version": "4.6",
  "i0_calibration_standard": null,
  "description": null,
  "experiment_description": "X-ray synchrotron radiation scattering data from solutions of a deletion mutant of Suppressor of Copper Sensitivity C protein (ScsC) protein from Proteus mirabilis in 10 mM HEPES 150mM NaCl, pH 7.4 were collected on the SAXS/WAXS beam line of the Australian Synchrotron (Melbourne, Australia) using a 2D Photon counting Pilatus 1M-W pixel detector (s = 4π sin θ/λ, where 2θ is the scattering angle). Thirty eight successive 1 second frames were collected across solute concentrations of 0.1-10.0 mg/ml at a sample temperature of 10°C. The data were normalized to the intensity of the transmitted beam and radially averaged and the scattering of the solvent-blank was subtracted. The SAXS data displayed this entry was derived from a 10.0 mg/ml sample and show that a mixture of monomer, dimer and trimer is present in solution. A linear combination of monomer, dimer and trimer are fit to the scattering curve, and the final concentration of each species in solution was determined to be: 122.70 µM (monomer); 73.15 µM (dimer); 12.29 µM (trimer). Together, with data collected at other concentration (available to download as a zip archive), it was estimated that K1 (monomer <-> dimer) was 205.81 µM, and K2 (monomer + dimer <-> trimer) 729.98 µM.",
  "tags": [],
  "intensity_unit": "1/cm",
  "experimental_mw": 44.3,
  "experimental_mw_error": null,
  "guinier_i0_mw": null,
  "guinier_i0_mw_error": null,
  "porod_mw": null,
  "porod_mw_error": null,
  "pddf_i0": 0.2413,
  "pddf_i0_error": 0.0001,
  "guinier_i0": 0.2423,
  "guinier_i0_error": 0.0001,
  "pddf_rg": 2.6,
  "pddf_rg_error": 0.01,
  "guinier_rg": 2.62,
  "guinier_rg_error": 0.01,
  "pddf_dmax": 9.0,
  "pddf_dmax_error": 5.0,
  "porod_volume": 54.0,
  "porod_volume_error": null,
  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 1,
  "guinier_point_last": 19,
  "pddf_point_first": null,
  "pddf_point_last": null,
  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDEQ4_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2020-11-27T11:55:50.587847+01:00",
  "bragg_peak": []
}

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