{
  "code": "SASDUV2",
  "status": "Published",
  "type_of_curve": "SEC-SAS",
  "angular_unit": "1/A",
  "project": {
    "title": "Novel lipid-interaction motifs within the C-terminal domain of Septin10 from Schistosoma mansoni",
    "publication": {
      "title": "Novel lipid-interaction motifs within the C-terminal domain of Septin10 from Schistosoma mansoni",
      "author_list": "Cavini I, Fontes M, Zeraik A, Lopes J, Araújo A",
      "journal": "Biochimica et Biophysica Acta (BBA) - Biomembranes",
      "doi": "10.1016/j.bbamem.2024.184371",
      "pmid": null,
      "published_date": "2024 Jul"
    },
    "status": "released",
    "submitted_date": "2024-02-08",
    "released_date": "2024-07-17"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDUV2.out",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDUV2.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUV2_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUV2_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDUV2_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUV2_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDUV2.sascif",
  "experiment": {
    "instrument": {
      "detector": {
        "type": null,
        "name": "Eiger 4M",
        "resolution": 75.0
      },
      "name": "Diamond Light Source",
      "city": "Didcot",
      "country": "UK",
      "beamline_name": "B21",
      "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": "Septin-10",
          "short_name": "MBP-SmSEPT10C",
          "sequence": "MAHHHHHHSSGMKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTSGSFRDDEKMSLQETYEKRRELQRKELQQKEEEMRQMFVQRVKEKEQVLKEAERELQTKFESLKKTHAEEKKKLEEKKRFLEEEIAAFERRKQLAEQARQGNLTMKKRK",
          "organism": "Schistosoma mansoni",
          "uniprot_code": "G4VFI8",
          "uniprot_range_first": 307,
          "uniprot_range_last": 412,
          "oligomerization": "dimer",
          "molecular_type": "protein",
          "uniprot_sequence": "MTADVLKALPPDVRTLKLSGHVGFDSLPDQLVNKAISQGFVFNILCVGETGIGKSTLLET\nLFNQKFDFSPSNHDLTDPKLKAVTYDLKEANVKLKLTVVETCGYGDQINKENNIKPVVDY\nIDNQFENYLQEELKMKRSMQAFHDTRVHVCLYFIAPTGHSLKSIDLVAMKKLENKVNVIP\nVIAKSDTITKSELQKFKARILSEIQSNEIGIYQFPTDDEAVSETNSVMNQHIPFAVVGSS\nEEVKINGKTVRVRQYPWGSVQVENENHCDFVRLREMLLRVNMEDLRERTHGVHYETYRRQ\nRLIEMGFRDDEKMSLQETYEKRRELQRKELQQKEEEMRQMFVQRVKEKEQVLKEAERELQ\nTKFESLKKTHAEEKKKLEEKKRFLEEEIAAFERRKQLAEQARQGNLTMKKRK",
          "mw": 55.025,
          "total_mw": 110.05,
          "number_molecules": 2,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": "Maltose binding protein (MBP)-fused Schistosoma mansoni Septin-10 C-terminal domain. A tripeptide linker (Ser-Gly-Ser) was used between the MBP (in the N-terminus of the protein fusion) and the coiled-coil sequence. The MBP also contains an additional N-terminal polyhistidine tag."
        }
      ],
      "buffer": {
        "name": "50 mM Tris, 150 mM NaCl",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 7.5,
        "deuteration": null
      },
      "purity_method": null,
      "name": "MBP-fused Schistosoma mansoni Septin-10 C-terminal coiled-coil domain (MBP-SmSEPT10C)",
      "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": "University of Sao Paulo",
            "webpage": null
          }
        ],
        "contributor_name": "Italo Augusto",
        "contributor_surname": "Cavini",
        "orcid": "https://orcid.org/0000-0003-2035-6584"
      }
    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2023-05-17",
    "storage_temperature": -0.1,
    "cell_temperature": 15.0,
    "exposure_time": 3.0,
    "number_of_frames": 600,
    "wavelength": 0.09464,
    "sample_detector_distance": 3.7209,
    "concentration_min": null,
    "concentration_max": 5.0,
    "sample_volume": 45.0,
    "flow_rate": 0.08,
    "s_min": 0.045,
    "s_max": 3.4,
    "total_exposure_time": null,
    "seccolumn": 48
  },
  "fits": [
    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDUV2_fit1_model1_img.png",
          "software": "OmegaFold",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "OmegaFold",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDUV2_fit1_model1.pdb",
          "model_mw": 110.0,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "Output model",
          "user": 918
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDUV2_fit1_fitfoxs_img.png",
      "software": "MultiFoXS",
      "chi_square_value": 2.292588,
      "p_value": 0.0,
      "fit_residual_plot": "SASDUV2_fit1_fitfoxsresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDUV2_fit1.dat",
      "fit_log": null,
      "software_version": null,
      "description": "Fitting of the scattering profile using a model based on a parallel coiled-coil prediction from OmegaFold. A flexible region of five residues in the linker between the MBP fusion and the coiled coil was used."
    },
    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDUV2_fit2_model1_img.png",
          "software": "AlphaFold",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": null,
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDUV2_fit2_model1.pdb",
          "model_mw": 110.0,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "AF-multimer (antiparallel coiled coil)",
          "user": 918
        },
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDUV2_fit2_model2_img.png",
          "software": "OmegaFold",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "OmegaFold",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDUV2_fit2_model2.pdb",
          "model_mw": 110.0,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "OmegaFold (parallel)",
          "user": 918
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDUV2_fit2_fitfoxs_img.png",
      "software": "MultiFoXS",
      "chi_square_value": 1.857145,
      "p_value": 0.0,
      "fit_residual_plot": "SASDUV2_fit2_fitfoxsresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDUV2_fit2.dat",
      "fit_log": null,
      "software_version": null,
      "description": "Two-state ensemble using parallel+antiparallel solutions. Weights, 0.794:0.206 (P:AP)."
    },
    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDUV2_fit3_model1_img.png",
          "software": "DAMMIN",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "dummy",
          "software_version": "dammin, ATSAS 3.2.1 (r14885)",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDUV2_fit3_model1.cif",
          "model_mw": null,
          "bead_radius": null,
          "log": "https://www.sasbdb.org/media/log_files/Sm10C.log",
          "symmetry": null,
          "comment": null,
          "user": 918
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDUV2_fit3_fixed_fit_img.png",
      "software": "DAMMIN",
      "chi_square_value": 1.287,
      "p_value": 0.0014,
      "fit_residual_plot": "SASDUV2_fit3_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDUV2_fit3.fir",
      "fit_log": null,
      "software_version": null,
      "description": "Single DAMMIN run done on ATSAS online server. Symmetry, P1; Anisotropy assumptions, none; Mode, expert; dummy radius, 5 Angstroms."
    }
  ],
  "estimated_volume_method": null,
  "pddf_software": "ATSAS GNOM",
  "pddf_software_version": "5.0",
  "i0_calibration_standard": null,
  "description": "The modelling presented are (from top to bottom): 1) MultiFoXS using parallel coiled-coil model; 2) MultiFoXS using parallel and antiparallel coiled-coil models (79:21 weight); 3) DAMMIN bead model (in P1 symmetry).",
  "experiment_description": "Synchrotron SAXS data from solutions MBP-SmSEPT10C in 50 mM Tris, 150 mM NaCl, pH 7.5 were collected on the B21 beam line at the Diamond Light Source (Didcot, UK) using a Eiger 4M detector at a sample-detector distance of 3.7 m and at a wavelength of λ = 0.09464 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). In-line size-exclusion chromatography (SEC) SAS was employed. The SEC parameters were as follows: A 45.00 μl sample at 5 mg/ml was injected at a 0.08 ml/min flow rate onto a GE Superdex 200 Increase 3.2/300 column at 15°C. 600 successive 3 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted.",
  "tags": [],
  "intensity_unit": "1/cm",
  "experimental_mw": 109.1,
  "experimental_mw_error": null,
  "guinier_i0_mw": null,
  "guinier_i0_mw_error": null,
  "porod_mw": 109.0,
  "porod_mw_error": null,
  "pddf_i0": 0.0339,
  "pddf_i0_error": null,
  "guinier_i0": 0.0322655,
  "guinier_i0_error": null,
  "pddf_rg": 6.74,
  "pddf_rg_error": null,
  "guinier_rg": 5.72,
  "guinier_rg_error": 0.3,
  "pddf_dmax": 27.4,
  "pddf_dmax_error": null,
  "porod_volume": 175.0,
  "porod_volume_error": null,
  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 41,
  "guinier_point_last": 126,
  "pddf_point_first": null,
  "pddf_point_last": null,
  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDUV2_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2024-07-17T16:24:14.682629+02:00",
  "bragg_peak": []
}