Staphylococcus aureus N-acetylglucosamine-6-phosphate deacetylase dimer

{
  "code": "SASDEA6",
  "status": "Published",
  "type_of_curve": "Single concentration",
  "angular_unit": "1/A",
  "project": {
    "title": "Functional and solution structure studies of amino sugar deacetylase and deaminase enzymes from Staphylococcus aureus.",
    "publication": {
      "title": "Functional and solution structure studies of amino sugar deacetylase and deaminase enzymes from Staphylococcus aureus.",
      "author_list": "Davies JS, Coombes D, Horne CR, Pearce FG, Friemann R, North RA, Dobson RCJ",
      "journal": "FEBS Lett",
      "doi": "10.1002/1873-3468.13289",
      "pmid": "30411345",
      "published_date": "2018 Nov 9"
    },
    "status": "released",
    "submitted_date": "2018-10-09",
    "released_date": "2018-11-13"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDEA6.out",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDEA6.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEA6_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEA6_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDEA6_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEA6_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDEA6.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": "N-acetylglucosamine-6-phosphate deacetylase",
          "short_name": "NagA",
          "sequence": ">tr|A0A0H2XGG9|A0A0H2XGG9_STAA3 N-acetylglucosamine-6-phosphate deacetylase OS=Staphylococcus aureus (strain USA300) OX=367830 GN=nagA PE=3 SV=1\r\nMSELIIYNGKVYTEDGKIDNGYIHVKDGQIVAIGEVDDKAAIDNDTTNKIQVIDAKGHHV\r\nLPGFIDIHIHGGYGQDAMDGSYDGLKYLSENLLSEGTTSYLATTMTQSTDKIDNALTNIA\r\nKYEAEQDVHNAAEIVGIHLEGPFISENKVGAQHPQYVVRPFIDKIKHFQETANGLIKIMT\r\nFAPEVEGAKEALETYKDDIIFSIGHTVATYEEAVEAVERGAKHVTHLYNAATPFQHREPG\r\nVFGAAWLNDALHTEMIVDGTHSHPASVAIAYRMKGNERFYLITDAMRAKGMPEGEYDLGG\r\nQKVTVQSQQARLANGALAGSILKMNHGLRNLISFTGDTLDHLWRVTSLNQAIALGIDDRK\r\nGSIKVNKDADLVILDDDMNVKSTIKQGKVHTFS",
          "organism": "Staphylococcus aureus",
          "uniprot_code": "A0A0H2XGG9",
          "uniprot_range_first": null,
          "uniprot_range_last": null,
          "oligomerization": "dimer",
          "molecular_type": "protein",
          "uniprot_sequence": "MSELIIYNGKVYTEDGKIDNGYIHVKDGQIVAIGEVDDKAAIDNDTTNKIQVIDAKGHHV\nLPGFIDIHIHGGYGQDAMDGSYDGLKYLSENLLSEGTTSYLATTMTQSTDKIDNALTNIA\nKYEAEQDVHNAAEIVGIHLEGPFISENKVGAQHPQYVVRPFIDKIKHFQETANGLIKIMT\nFAPEVEGAKEALETYKDDIIFSIGHTVATYEEAVEAVERGAKHVTHLYNAATPFQHREPG\nVFGAAWLNDALHTEMIVDGTHSHPASVAIAYRMKGNERFYLITDAMRAKGMPEGEYDLGG\nQKVTVQSQQARLANGALAGSILKMNHGLRNLISFTGDTLDHLWRVTSLNQAIALGIDDRK\nGSIKVNKDADLVILDDDMNVKSTIKQGKVHTFS",
          "mw": 43.115,
          "total_mw": 86.23,
          "number_molecules": 2,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": null
        }
      ],
      "buffer": {
        "name": "20 mM Tris-HCl 150 mM NaCl",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 8.0,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Staphylococcus aureus N-acetylglucosamine-6-phosphate deacetylase dimer",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": null,
            "address": "New Zealand",
            "full_name": "University of Canterbury",
            "webpage": "https://www.canterbury.ac.nz/"
          }
        ],
        "contributor_name": "James",
        "contributor_surname": "Davies",
        "orcid": "https://orcid.org/0000-0003-4029-1650"
      }
    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2016-04-26",
    "storage_temperature": 4.0,
    "cell_temperature": 20.0,
    "exposure_time": 1.0,
    "number_of_frames": 999,
    "wavelength": 0.10332,
    "sample_detector_distance": 1.6,
    "concentration_min": null,
    "concentration_max": 6.0,
    "sample_volume": null,
    "flow_rate": null,
    "s_min": 0.121,
    "s_max": 6.866,
    "total_exposure_time": null,
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              "ext_type": "pdb",
              "difference_with_model": "derived"
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          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "Structure of NagA isozyme from B subtilis fit to data. Generated using symmetry mates.",
          "user": 378
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/2vhl_dimer_5nSEn9j_fit_img.png",
      "software": "CRYSOL",
      "chi_square_value": 0.207,
      "p_value": 0.0,
      "fit_residual_plot": "2vhl_dimer_5nSEn9j_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDEA6_fit1.fit",
      "fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/2vhl_dimer_MpnFcww.log",
      "software_version": "ATSAS 2.8",
      "description": ""
    }
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  "estimated_volume_method": null,
  "pddf_software": "ATSAS GNOM",
  "pddf_software_version": "5.0",
  "i0_calibration_standard": null,
  "description": null,
  "experiment_description": "Synchrotron SAXS data from solutions of Staphylococcus aureus N-acetylglucosamine-6-phosphate deacetylase dimer in 20 mM Tris-HCl, 150 mM NaCl, pH 8 were collected on the SAXS/WAXS beam line at the Australian Synchrotron (Melbourne, Australia) using a Pilatus 1M detector at a sample-detector distance of 1.6 m and at a wavelength of λ = 0.10332 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 6.00 mg/ml was measured at 20°C. 999 successive 1 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": [],
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  "experimental_mw_error": null,
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  "guinier_i0_mw_error": null,
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  "porod_mw_error": null,
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  "guinier_i0_error": 0.0002,
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  "pddf_rg_error": null,
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  "guinier_rg_error": 0.008,
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  "pddf_dmax_error": null,
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  "porod_volume_error": null,
  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 9,
  "guinier_point_last": 40,
  "pddf_point_first": null,
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  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDEA6_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2019-12-06T13:07:15.624532+01:00",
  "bragg_peak": []
}

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