{"code":"SASDC28","status":"Published","type_of_curve":"Other","angular_unit":"1/A","project":{"title":"The atypical thiol-disulfide exchange protein α-DsbA2 from Wolbachia pipientis is a homotrimeric disulfide isomerase.","publication":{"title":"The atypical thiol-disulfide exchange protein α-DsbA2 from Wolbachia pipientis is a homotrimeric disulfide isomerase.","author_list":"Walden PM, Whitten AE, Premkumar L, Halili MA, Heras B, King GJ, Martin JL","journal":"Acta Crystallogr D Struct Biol","doi":"10.1107/S2059798318018442","pmid":"30950399","published_date":"2019 Mar 1"},"status":"released","submitted_date":"2017-10-03","released_date":"2019-03-29"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDC28.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDC28.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDC28_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDC28_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDC28_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDC28_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDC28.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":"DsbA-like disulfide oxidoreductase (thiol-disulfide exchange protein)","short_name":"α-DsbA2","sequence":"SNAMSLPIINNWLSNRSQMLNDDYIGEKLDNYISRNFDKIVKTLKEESIKSSYAARDNV\r\nTKSKISQYKDQIFDLTYPYSGNENSSVIAVGFLDYSCGHCKAIKNDIKQLINDGKIKYIFRDAPILGNAS\r\nLKAAKSALAVYFLNKEKYFDFHHAALSHKGEFSDESILDIVKNIGIDEDDFNDSIKDNADKIEQMINNSR\r\nLLVRDLGVGGTPFLIIGDSLFVGATDLNVLRKKVDELSHKQG","organism":"Wolbachia endosymbiont of Drosophila melanogaster","uniprot_code":"Q73FL6","uniprot_range_first":16,"uniprot_range_last":252,"oligomerization":"trimer","molecular_type":"protein","uniprot_sequence":"MSRISFLLILIIAIASLPIINNWLSNRSQMLNDDYIGEKLDNYISRNFDKIVKTLKEESI\nKSSYAARDNVTKSKISQYKDQIFDLTYPYSGNENSSVIAVGFLDYSCGHCKAIKNDIKQL\nINDGKIKYIFRDAPILGNASLKAAKSALAVYFLDKEKYFDFHHAALSHKGEFSDESILDI\nVKNIGIDEDDFNDSIKDNADKIEQMINNSRLLVRDLGVGGTPFLIIGDSLFVGATDLNVL\nRKKVDELSHKQG","mw":27.071,"total_mw":81.213,"number_molecules":3,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"25 mM TRIS, 150 mM NaCl","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.5,"deuteration":null},"purity_method":null,"name":"Mature α-DsbA2 protein","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":"2014-03-29","storage_temperature":4.0,"cell_temperature":20.0,"exposure_time":5.0,"number_of_frames":8,"wavelength":0.1127,"sample_detector_distance":1.575,"concentration_min":0.35,"concentration_max":1.15,"sample_volume":null,"flow_rate":null,"s_min":0.103,"s_max":3.992,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDC28_fit1_model1_img.png","software":"DAMMIN","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"5.3","model_data":"https://www.sasbdb.org/media/pdb_file/SASDC28_fit1_model1.pdb","model_mw":52.625,"bead_radius":2.5,"log":"https://www.sasbdb.org/media/log_files/damsel_0WumaPk.log","symmetry":"P3","comment":"Filtered model from Damaver","user":111}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDC28_fit1_fixed_fit_img.png","software":"DAMMIN","chi_square_value":1.199,"p_value":0.26545,"fit_residual_plot":"SASDC28_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDC28_fit1.fir","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/run0_YE1wuMC.log","software_version":"5.3","description":null},{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDC28_fit2_model1_img.png","software":"CORAL","pdb_link":[],"model_title":null,"type_of_model":"atomic","software_version":"","model_data":"https://www.sasbdb.org/media/pdb_file/SASDC28_fit2_model1.pdb","model_mw":null,"bead_radius":1.9,"log":null,"symmetry":"P3","comment":"","user":111}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDC28_fit2_fixed_fit_img.png","software":"CORAL","chi_square_value":1.37,"p_value":0.0371,"fit_residual_plot":"SASDC28_fit2_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDC28_fit2.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/run10.log","software_version":"1.1","description":null}],"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 mature version of α-DsbA2 from Wolbachia pipientis in 25 mM TRIS 150mM NaCl pH 7.5 were collected on the SAXS/WAXS beam line of the Australian Synchrotron (Melbourne, Australia) in a SEC-SAXS 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=0.1127 nm). Approximately 100 uL of 19.8 mg/ml protein solution were injected onto a WTC-030S5 column at a flow rate of 0.5 ml/min. Five hundred successive 5 second frames were collected during the SEC-SAXS run. The peak of the elution profile occured at ~18 mins after the start of the run, and the protein scattering was taken as the average of 8 frames collected 35-75 seconds after the peak eluted (the radius of gyration dropped to ~27.6 Ang at the peak concentration of ~2.2 mg/ml, so data was averaged at a region where the concentration was lower and concentration dependent effects were not apparent). The concentration range corresponding to the averaged frames was ~0.35 - 1.15 mg/ml, and the average concentration was taken as ~0.75 mg/ml.  The buffer was taken as the sum of 100 frames collected between 3-9 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 rigid-body modelling using CORAL (bottom).","tags":[],"intensity_unit":"1/cm","experimental_mw":86.7,"experimental_mw_error":null,"guinier_i0_mw":86.7,"guinier_i0_mw_error":5.0,"porod_mw":75.0,"porod_mw_error":null,"pddf_i0":0.04845,"pddf_i0_error":2e-05,"guinier_i0":0.04846,"guinier_i0_error":3e-05,"pddf_rg":2.79,"pddf_rg_error":0.01,"guinier_rg":2.8,"guinier_rg_error":0.01,"pddf_dmax":8.7,"pddf_dmax_error":3.0,"porod_volume":913.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":1,"guinier_point_last":30,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDC28_datloglog_img.png","symmetry":null,"last_modified":"2021-04-10T09:53:07.171187+02:00","bragg_peak":[]}