{"code":"SASDF33","status":"Published","type_of_curve":"SEC-SAS","angular_unit":"1/A","project":{"title":"Inhibition of aggregation and biofilm formation by Uropathogenic Escherichia coli","publication":null,"status":"released","submitted_date":"2019-02-14","released_date":"2024-02-14"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDF33.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDF33.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF33_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF33_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDF33_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF33_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDF33.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":"Alpha domain of Ag43a","short_name":"Ag43","sequence":"ADIVVHPGETVNGGTLVNHDNQFVSGTANGVTVSTGLELGPDSDENTGGQWIKAGGTGRNTTVTANGRQIVQAGGTASDTVIRDGGGQSLNGLAVNTTLDNRGEQWVHGGGKAAGTIINQDGYQTIKHGGLATGTIVNTGAESSGQMVGGTAESTTINKNGRQVIWSSGMARDTLIYAGGDQTVHGEAHNTRLEGGNQYVHNGGTATETLINRDGWQVIKEGGTAAHTTINQKGKLQVNAGGKASDVTQNTGGALVTSTAATVTGTNRLGAFSVVAGKADNVVLENGGRLDVLSGHTATNTRVDDGGTLDIRNGGAATTVSMGNGGVLLADSGAAVSGTRSDGKAFSIGGGQADALMLEKGSSFTLNAGDTATDTTVNGGLFTARGGTLAGTTTLNNGAILTLSGKTVNNDTLTIREGDALLQGGSLTGNGSVEKSGSGTLTVSNTTLTQKAVNLNEGTLTLNDSTVTTDVIAQRGTALKLTGSTVLNGAID","organism":"Escherichia coli","uniprot_code":"P39180","uniprot_range_first":53,"uniprot_range_last":551,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":null,"mw":49.087,"total_mw":49.087,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null},{"long_name":"Fragment antigen-binding region Fab10C12","short_name":"Fab10C12","sequence":"SIVMTQTPKFLFVSVGDRVTITCKASQSVNNDVAWYQQKPGQSPKLLIYFASNRYTGVPDRFTGSGYGTDFTFTINTVQAEDLAVYFCQQDYSSPQTFGGGTKLEVTRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC                          \r\nQVQLQQPGTELVKPGASVKLSCKASGYTFTNYWMHWVKQRPGQGLEWIGNIGPSSGNTNYGENFKTKATLTVDKSSSTAYMQLSSLTSEDSAVYFCARWGSIRAMDYWGQGTSVTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKL","organism":"Mus musculus","uniprot_code":null,"uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":null,"mw":46.565,"total_mw":46.565,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"25 mM HEPES, 150 mM NaCl","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.0,"deuteration":null},"purity_method":null,"name":"Antigen 43/Fragment antigen-binding region Fab10C12 complex (Ag43-Fab)","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":"ANSTO","address":"Kirrawee DC, NSW 2232, Australia","full_name":"Australian Nuclear Science and Technology Organisation","webpage":""}],"contributor_name":"Andrew","contributor_surname":"Whitten","orcid":null}],"concentration_method":null,"concentration_unit":null,"date":"2016-11-03","storage_temperature":4.0,"cell_temperature":12.0,"exposure_time":1.0,"number_of_frames":14,"wavelength":0.10332,"sample_detector_distance":2.68,"concentration_min":0.25,"concentration_max":1.2,"sample_volume":null,"flow_rate":null,"s_min":0.088,"s_max":2.989,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDF33_fit1_model1_img.png","software":"DAMFILT","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"5.0","model_data":"https://www.sasbdb.org/media/pdb_file/SASDF33_fit1_model1.pdb","model_mw":69.176,"bead_radius":3.25,"log":null,"symmetry":"P1","comment":null,"user":111}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDF33_fit1_fixed_fit_img.png","software":"DAMMIN","chi_square_value":1.215,"p_value":0.381566,"fit_residual_plot":"SASDF33_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDF33_fit1.fir","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/run12.log","software_version":"5.3","description":""},{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDF33_fit2_model1_img.png","software":"Custom in-house","pdb_link":[],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDF33_fit2_model1.pdb","model_mw":91.42,"bead_radius":null,"log":null,"symmetry":"P1","comment":null,"user":111}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDF33_fit2_fixed_fit_img.png","software":"CRYSOL","chi_square_value":3.357,"p_value":0.0,"fit_residual_plot":null,"fit_data":"https://www.sasbdb.org/media/fitting_files/SASDF33_fit2.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/Ag43Fab101.log","software_version":"2.8.3","description":""}],"estimated_volume_method":null,"pddf_software":"ATSAS GNOM","pddf_software_version":"4.6","i0_calibration_standard":null,"description":null,"experiment_description":"X-ray synchrotron radiation scattering data from the from the Ag43-Fab complex in 25 mM HEPES 150mM NaCl pH 7.0 were collected on the SAXS/WAXS beam line of the Australian Synchrotron (Melbourne, Australia) in a SEC-SAXS with sheath flow configuration using a 2D Photon counting Pilatus 1M-W pixel detector (I(s) vs s, where s = 4π sin θ/λ and 2θ is the scattering angle; λ=0.10332 nm). Approximately 50 uL of a 5.0 mg/ml protein solution was injected onto a S200 Increase 5/150 column at a flow rate of 0.4 ml/min. Three hundred successive 1 second frames were collected during the SEC-SAXS run. The peak of the elution profile occured at ~3 mins after the start of the run, and the protein scattering was taken as the average of 14 frames collected 190-203 seconds after the peak eluted. The concentration range corresponding to the averaged frames was ~0.25 - 1.20 mg/ml, and the average concentration was taken as ~0.59 mg/ml. The buffer was taken as the sum of 50 frames collected between 1-2 mins after the start of the run. The data were normalized to the intensity of the transmitted beam and radially averaged and the scattering of the solvent-blank was subtracted. The models and corresponding fits include those derived from dummy-atom modelling using DAMMIN (top) and CRYSOL using the crystal structure (bottom).","tags":[],"intensity_unit":"1/cm","experimental_mw":92.0,"experimental_mw_error":null,"guinier_i0_mw":92.0,"guinier_i0_mw_error":5.0,"porod_mw":85.0,"porod_mw_error":null,"pddf_i0":0.02158,"pddf_i0_error":null,"guinier_i0":0.02173,"guinier_i0_error":8e-05,"pddf_rg":4.28,"pddf_rg_error":null,"guinier_rg":4.29,"guinier_rg_error":0.04,"pddf_dmax":15.0,"pddf_dmax_error":null,"porod_volume":103.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":1,"guinier_point_last":14,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDF33_datloglog_img.png","symmetry":null,"last_modified":"2024-02-21T18:31:10.310547+01:00","bragg_peak":[]}