Br-labelled Elastin-like Polypeptide (ELP) in 6 M Urea

{
  "code": "SASDUX9",
  "status": "Published",
  "type_of_curve": "SEC-SAS",
  "angular_unit": "1/nm",
  "project": {
    "title": "A genetically encoded anomalous SAXS ruler to probe the dimensions of intrinsically disordered proteins.",
    "publication": {
      "title": "A genetically encoded anomalous SAXS ruler to probe the dimensions of intrinsically disordered proteins.",
      "author_list": "Yu M, Gruzinov AY, Ruan H, Scheidt T, Chowdhury A, Giofrè S, Mohammed ASA, Caria J, Sauter PF, Svergun DI, Lemke EA",
      "journal": "Proc Natl Acad Sci U S A",
      "doi": "10.1073/pnas.2415220121",
      "pmid": "39642200",
      "published_date": "2024 Dec 10"
    },
    "status": "released",
    "submitted_date": "2024-06-05",
    "released_date": "2024-12-09"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDUX9.out",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDUX9.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUX9_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUX9_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDUX9_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUX9_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDUX9.sascif",
  "experiment": {
    "instrument": {
      "detector": {
        "type": null,
        "name": "Pilatus 6M",
        "resolution": null
      },
      "name": "PETRA III",
      "city": "DESY; Hamburg",
      "country": "Germany",
      "beamline_name": "EMBL P12",
      "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": "Elastin-like polypeptide labeled with unnatural amino acid diBrK",
          "short_name": "Br-labeled ELP",
          "sequence": "SSGGVGVPGGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVGWPSGA",
          "organism": "synthetic construct",
          "uniprot_code": null,
          "uniprot_range_first": null,
          "uniprot_range_last": null,
          "oligomerization": "monomer",
          "molecular_type": "protein",
          "uniprot_sequence": "",
          "mw": 12.893,
          "total_mw": 12.893,
          "number_molecules": 1,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": "Br-labelled elastin-like polypeptide incorporating the unnatural amino acid diBrK (N-ε-3,5-dibromobenzyloxycarbonyl-L-lysine). The positions of the diBrK (*) in the protein sequence are:\r\n\r\nSSGGVGVPG*GVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGV\r\nGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGV\r\nGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGVGVPGV\r\nGV*GWPSGA"
        }
      ],
      "buffer": {
        "name": "phosphate buffered saline containing 6 M urea, 0.3 M KCl, 5 mM DTT",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 7.4,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Br-labelled Elastin-like Polypeptide (ELP) in 6 M Urea",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": "DESY",
            "address": null,
            "full_name": "Beamline P11 (PETRA III), Deutsches Elektronen-Synchrotron",
            "webpage": null
          }
        ],
        "contributor_name": "Andrey",
        "contributor_surname": "Gruzinov",
        "orcid": "https://orcid.org/0000-0001-8598-5491"
      }
    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2023-07-02",
    "storage_temperature": 10.0,
    "cell_temperature": 20.0,
    "exposure_time": 0.25,
    "number_of_frames": 2400,
    "wavelength": 0.092,
    "sample_detector_distance": 3.1,
    "concentration_min": null,
    "concentration_max": 20.0,
    "sample_volume": 80.0,
    "flow_rate": 0.25,
    "s_min": 0.062,
    "s_max": 4.432,
    "total_exposure_time": null,
    "seccolumn": 4
  },
  "fits": [],
  "estimated_volume_method": null,
  "pddf_software": "ATSAS GNOM",
  "pddf_software_version": "5.0",
  "i0_calibration_standard": null,
  "description": "Br-labeled ELP in 6 M urea measured at 13428 eV. SAXS data measured at several different energies spanning the K-absorbtion edge of bromine are made available in the full entry zip archive.",
  "experiment_description": "Synchrotron SAXS data from solutions of Br-labelled ELP in phosphate buffered saline containing 6 M urea, 0.3 M KCl, 5 mM DTT, pH 7.4 were collected on the EMBL P12 beam line at PETRA III (DESY; Hamburg, Germany) using a Pilatus 6M detector at a sample-detector distance of 3.1 m and at a wavelength of λ = 0.092 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 80.00 μl sample at 20 mg/ml was injected at a 0.25 ml/min flow rate onto a GE Superdex 75 Increase 5/150 column at 20°C. 2400 successive 0.250 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": [
    "idp"
  ],
  "intensity_unit": "1/cm",
  "experimental_mw": 13.2,
  "experimental_mw_error": null,
  "guinier_i0_mw": null,
  "guinier_i0_mw_error": null,
  "porod_mw": 37.0,
  "porod_mw_error": null,
  "pddf_i0": 0.009773,
  "pddf_i0_error": null,
  "guinier_i0": 0.00953452,
  "guinier_i0_error": null,
  "pddf_rg": 4.141,
  "pddf_rg_error": null,
  "guinier_rg": 3.76,
  "guinier_rg_error": 0.037,
  "pddf_dmax": 18.08,
  "pddf_dmax_error": null,
  "porod_volume": 47.0,
  "porod_volume_error": null,
  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 6,
  "guinier_point_last": 50,
  "pddf_point_first": null,
  "pddf_point_last": null,
  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDUX9_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2024-12-09T12:10:06.285128+01:00",
  "bragg_peak": []
}

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  "started_at": "2026-08-11T16:50:19.121109+00:00",
  "finished_at": "2026-08-11T16:50:27.357788+00:00",
  "source_last_modified": "2024-12-09T12:10:06.285128+01:00",
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