{"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,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDEA6_fit1_model1_img.png","software":"PyMOL","pdb_link":[{"pdb_code":"2vhl","ext_code":"2VHL","ext_type":"pdb","difference_with_model":"derived"}],"model_title":null,"type_of_model":"atomic","software_version":"2.0.6","model_data":"https://www.sasbdb.org/media/pdb_file/SASDEA6_fit1_model1.pdb","model_mw":85.33,"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":""}],"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":[],"intensity_unit":"arbitrary","experimental_mw":82.1,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":67.0,"porod_mw_error":null,"pddf_i0":0.05517,"pddf_i0_error":null,"guinier_i0":0.054922,"guinier_i0_error":0.0002,"pddf_rg":3.19,"pddf_rg_error":null,"guinier_rg":3.158,"guinier_rg_error":0.008,"pddf_dmax":10.1,"pddf_dmax_error":null,"porod_volume":107.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":9,"guinier_point_last":40,"pddf_point_first":null,"pddf_point_last":null,"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":[]}