{
  "code": "SASDUY4",
  "status": "Published",
  "type_of_curve": "Single concentration",
  "angular_unit": "1/A",
  "project": {
    "title": "Ligand‐induced <scp>CaMKIIα</scp>\n              hub Trp403 flip, hub domain stacking, and modulation of kinase activity",
    "publication": {
      "title": "Ligand‐induced <scp>CaMKIIα</scp>\n              hub Trp403 flip, hub domain stacking, and modulation of kinase activity",
      "author_list": "Narayanan D, Larsen A, Gauger S, Adafia R, Hammershøi R, Hamborg L, Bruus‐Jensen J, Griem‐Krey N, Gee C, Frølund B, Stratton M, Kuriyan J, Kastrup J, Langkilde A, Wellendorph P, Solbak S",
      "journal": "Protein Science",
      "doi": "10.1002/pro.5152",
      "pmid": null,
      "published_date": "2024 Sep 14"
    },
    "status": "released",
    "submitted_date": "2024-03-18",
    "released_date": "2024-09-18"
  },
  "pddf_data": null,
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDUY4.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUY4_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUY4_kratky_img.png",
  "pddf_plot": null,
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUY4_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDUY4.sascif",
  "experiment": {
    "instrument": {
      "detector": {
        "type": "pixel counting",
        "name": "Pilatus3 R 300K",
        "resolution": 172.0
      },
      "name": "University of Copenhagen, Department of Drug Design and Pharmacology",
      "city": "Copenhagen",
      "country": "Denmark",
      "beamline_name": "Xenocs BioXolver L with MetalJet",
      "beam_geometry": null,
      "type_of_source": "X-ray in house",
      "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": "Calcium/calmodulin-dependent protein kinase type II subunit alpha",
          "short_name": "CaMKIIα WT hub",
          "sequence": "GPHMVRKQEIIKVTEQLIEAISNGDFESYTKMCDPGMTAFEPEALGNLVEGLDFHRFYFENLWSRNSKPVHTTILNPHIHLMGDESACIAYIRITQYLDAGGIPRTAQSEETRVWHRRDGKWQIVHFHRSGAPSV",
          "organism": "Homo sapiens",
          "uniprot_code": "Q9UQM7",
          "uniprot_range_first": 345,
          "uniprot_range_last": 475,
          "oligomerization": "dodecamer",
          "molecular_type": "protein",
          "uniprot_sequence": "MATITCTRFTEEYQLFEELGKGAFSVVRRCVKVLAGQEYAAKIINTKKLSARDHQKLERE\nARICRLLKHPNIVRLHDSISEEGHHYLIFDLVTGGELFEDIVAREYYSEADASHCIQQIL\nEAVLHCHQMGVVHRDLKPENLLLASKLKGAAVKLADFGLAIEVEGEQQAWFGFAGTPGYL\nSPEVLRKDPYGKPVDLWACGVILYILLVGYPPFWDEDQHRLYQQIKAGAYDFPSPEWDTV\nTPEAKDLINKMLTINPSKRITAAEALKHPWISHRSTVASCMHRQETVDCLKKFNARRKLK\nGAILTTMLATRNFSGGKSGGNKKSDGVKESSESTNTTIEDEDTKVRKQEIIKVTEQLIEA\nISNGDFESYTKMCDPGMTAFEPEALGNLVEGLDFHRFYFENLWSRNSKPVHTTILNPHIH\nLMGDESACIAYIRITQYLDAGGIPRTAQSEETRVWHRRDGKWQIVHFHRSGAPSVLPH",
          "mw": 15.477,
          "total_mw": 185.724,
          "number_molecules": 12,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": "The protein construct used for SAXS contains an additional four non-native amino acids at the N-terminus (GPHM)."
        },
        {
          "long_name": "3-hydroxycyclopent-1-enecarboxylic acid",
          "short_name": "HOCPCA",
          "sequence": "C6H8O3",
          "organism": null,
          "uniprot_code": null,
          "uniprot_range_first": null,
          "uniprot_range_last": null,
          "oligomerization": "monomer",
          "molecular_type": "other",
          "uniprot_sequence": "",
          "mw": 0.128,
          "total_mw": 0.128,
          "number_molecules": 1,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "synthetic",
          "molecule_description": "https://pubchem.ncbi.nlm.nih.gov/compound/3-Hydroxycyclopent-1-ene-1-carboxylic-acid"
        }
      ],
      "buffer": {
        "name": "20 mM MES, 150 mM NaCl, 1 mM DTT, 1 mM HOCPCA",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 6.0,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with HOCPCA",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": null,
            "address": "Copenhagen, Denmark",
            "full_name": "University of Copenhagen",
            "webpage": "http://www.ku.dk/"
          }
        ],
        "contributor_name": "Annette",
        "contributor_surname": "Langkilde",
        "orcid": ""
      }
    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2020-11-19",
    "storage_temperature": 10.0,
    "cell_temperature": 25.0,
    "exposure_time": 60.0,
    "number_of_frames": 10,
    "wavelength": 0.13428,
    "sample_detector_distance": 1.0355,
    "concentration_min": null,
    "concentration_max": 2.9,
    "sample_volume": null,
    "flow_rate": null,
    "s_min": 0.112,
    "s_max": 4.698,
    "total_exposure_time": null,
    "seccolumn": null
  },
  "fits": [],
  "estimated_volume_method": null,
  "pddf_software": null,
  "pddf_software_version": null,
  "i0_calibration_standard": null,
  "description": "The data is a merge from data collected at three different configurations. In addition to the listed, data was collected on the same sample with sample-detector distance 0.610 m (10 frames of 60 s exposure) and with sample-detector distance of 1.4355 m (10 frames of 120 sec exposure). The resulting data is a merge of the data from the three configurations. \r\n\r\nThese data were collected for comparison with the CaMKIIa WT hub without ligand.\r\n\r\nHOCPCA: https://pubchem.ncbi.nlm.nih.gov/compound/3-Hydroxycyclopent-1-ene-1-carboxylic-acid",
  "experiment_description": "SAXS data from solutions of calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with HOCPCA in 20 mM MES, 150 mM NaCl, 1 mM DTT, 1 mM HOCPCA, pH 6 were collected using a Xenocs BioXolver L with MetalJet (University of Copenhagen, Department of Drug Design and Pharmacology) equipped with a Pilatus3 R 300K detector at a sample-detector distance of 1.0 m and at a wavelength of λ = 0.13428 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 2.90 mg/ml was measured at 25°C. 10 successive 60 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": "arbitrary",
  "experimental_mw": 170.0,
  "experimental_mw_error": null,
  "guinier_i0_mw": null,
  "guinier_i0_mw_error": null,
  "porod_mw": null,
  "porod_mw_error": null,
  "pddf_i0": null,
  "pddf_i0_error": null,
  "guinier_i0": 0.107819,
  "guinier_i0_error": null,
  "pddf_rg": null,
  "pddf_rg_error": null,
  "guinier_rg": 4.1,
  "guinier_rg_error": 0.515,
  "pddf_dmax": 12.7,
  "pddf_dmax_error": null,
  "porod_volume": 309.8,
  "porod_volume_error": null,
  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 10,
  "guinier_point_last": 73,
  "pddf_point_first": null,
  "pddf_point_last": null,
  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDUY4_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2024-09-18T12:55:09.885076+02:00",
  "bragg_peak": []
}