{"code":"SASDC72","status":"Published","type_of_curve":"Single concentration","angular_unit":"1/A","project":{"title":"High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE.","publication":{"title":"High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE.","author_list":"Azmi L, Bragginton EC, Cadby IT, Byron O, Roe AJ, Lovering AL, Gabrielsen M","journal":"Acta Crystallogr F Struct Biol Commun","doi":"10.1107/S2053230X20010237","pmid":"32880589","published_date":"2020 Sep 1"},"status":"released","submitted_date":"2017-05-11","released_date":"2017-12-12"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDC72.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDC72.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDC72_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDC72_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDC72_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDC72_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDC72.sascif","experiment":{"instrument":{"detector":{"type":null,"name":"Pilatus 2M","resolution":null},"name":"Diamond Light Source","city":"Didcot","country":"UK","beamline_name":"B21","beam_geometry":"1 x 5 mm","type_of_source":"X-ray synchrotron","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":"Aldehyde-alcohol dehydrogenase","short_name":"AdhE","sequence":"MLWHKLPKSIYFRRGSLPIALDEVITDGHKRALIVTDRFLFNNGYADQITSVLKAAGVETEVFFEVEADPTLSIVRKGAELANSFKPDVIIALGGGSPMDAAKIMWVMYEHPETHFEELALRFMDIRKRIYKFPKMGVKAKMIAVTTTSG\r\nTGSEVTPFAVVTDDATGQKYPLADYALTPDMAIVDANLVMDMPKSLCAFGGLDAVTHAMEAYVSVLASEFSDGQALQALKLLKEYLPASYHEGSKNPVARERVHSAATIAGIAFANAFLGVCHSMAHKLGSQFHIPHGLANALLICNVIRYNANDNPTKQTAFSQYDRPQARRRYAEIADHLGLSAPGDRTAAKIEKLLAWLETLKAELGIPKSIREAGVQEADFLANVDKLSEDAFDDQCTGANPRYPLISELKQILLDTYYGRDYVEGETAAKKEAAPAKAEKKAKKSA","organism":"Escherichia coli O157:H7","uniprot_code":"P0A9Q8","uniprot_range_first":451,"uniprot_range_last":891,"oligomerization":"dimer","molecular_type":"protein","uniprot_sequence":"MAVTNVAELNALVERVKKAQREYASFTQEQVDKIFRAAALAAADARIPLAKMAVAESGMG\nIVEDKVIKNHFASEYIYNAYKDEKTCGVLSEDDTFGTITIAEPIGIICGIVPTTNPTSTA\nIFKSLISLKTRNAIIFSPHPRAKDATNKAADIVLQAAIAAGAPKDLIGWIDQPSVELSNA\nLMHHPDINLILATGGPGMVKAAYSSGKPAIGVGAGNTPVVIDETADIKRAVASVLMSKTF\nDNGVICASEQSVVVVDSVYDAVRERFATHGGYLLQGKELKAVQDVILKNGALNAAIVGQP\nAYKIAELAGFSVPENTKILIGEVTVVDESEPFAHEKLSPTLAMYRAKDFEDAVEKAEKLV\nAMGGIGHTSCLYTDQDNQPARVSYFGQKMKTARILINTPASQGGIGDLYNFKLAPSLTLG\nCGSWGGNSISENVGPKHLINKKTVAKRAENMLWHKLPKSIYFRRGSLPIALDEVITDGHK\nRALIVTDRFLFNNGYADQITSVLKAAGVETEVFFEVEADPTLSIVRKGAELANSFKPDVI\nIALGGGSPMDAAKIMWVMYEHPETHFEELALRFMDIRKRIYKFPKMGVKAKMIAVTTTSG\nTGSEVTPFAVVTDDATGQKYPLADYALTPDMAIVDANLVMDMPKSLCAFGGLDAVTHAME\nAYVSVLASEFSDGQALQALKLLKEYLPASYHEGSKNPVARERVHSAATIAGIAFANAFLG\nVCHSMAHKLGSQFHIPHGLANALLICNVIRYNANDNPTKQTAFSQYDRPQARRRYAEIAD\nHLGLSAPGDRTAAKIEKLLAWLETLKAELGIPKSIREAGVQEADFLANVDKLSEDAFDDQ\nCTGANPRYPLISELKQILLDTYYGRDYVEGETAAKKEAAPAKAEKKAKKSA","mw":48.33,"total_mw":96.66,"number_molecules":2,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"20 mM Tris 400 mM NaCl 5% v/v glycerol","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.5,"deuteration":null},"purity_method":null,"name":"Alcohol dehydrogenase from bifunctional alcohol/aldehyde dehydrogenase (P0A9Q8)","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Glasgow, Scotland, UK","full_name":"University of Glasgow","webpage":"http://www.gla.ac.uk/"}],"contributor_name":"Liyana","contributor_surname":"Azmi","orcid":null}],"concentration_method":null,"concentration_unit":null,"date":"2015-11-27","storage_temperature":4.0,"cell_temperature":4.0,"exposure_time":1.0,"number_of_frames":131,"wavelength":0.1,"sample_detector_distance":4.04,"concentration_min":null,"concentration_max":10.0,"sample_volume":null,"flow_rate":null,"s_min":0.045,"s_max":4.017,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDC72_fit1_model1_img.png","software":"DAMMIF","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"r9217","model_data":"https://www.sasbdb.org/media/pdb_file/SASDC72_fit1_model1.pdb","model_mw":88.9,"bead_radius":3.5,"log":"https://www.sasbdb.org/media/log_files/D2_AdhE.log","symmetry":"P2","comment":"","user":193},{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDC72_fit1_model2_img.png","software":"DAMFILT","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"5.0 r9217","model_data":"https://www.sasbdb.org/media/pdb_file/SASDC72_fit1_model2.pdb","model_mw":88.526,"bead_radius":3.5,"log":null,"symmetry":"P2","comment":"","user":193}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDC72_fit1_fixed_fit_img.png","software":"DAMMIF","chi_square_value":1.85,"p_value":0.2137,"fit_residual_plot":"SASDC72_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDC72_fit1.fir","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/D2-AdhE1_9.log","software_version":"r9217","description":null}],"estimated_volume_method":"DAMMIN","pddf_software":"ATSAS GNOM","pddf_software_version":"PRIMUS 2.7.1 GNOM","i0_calibration_standard":null,"description":null,"experiment_description":"Synchrotron SAXS data, I(s) vs s (s = 4π sin θ/λ, where 2θ is the scattering angle and λ is the X-ray wavelength) were collected from a sample of alcohol dehydrogenase from a bifunctional alcohol/aldehyde dehydrogenase protein (P0A9Q8) using continuous-flow size-exclusion chromatography SAXS (SEC-SAXS) on the B21 beam line at the Diamond Light Source (Oxfordshire, UK). Data (131 successive 1 second frames) were collected using a Pilatus 2M detector at a sample-detector distance of 4.0 m and at a wavelength of λ = 0.1 nm. The SEC mobile phase consisted of 20 mM Tris, 400 mM NaCl, 5% v/v glycerol, pH 7.5 (4°C) with a sample injection concentration of 10 mg/ml. Data obtained from solute-free eluates and SEC-elution peak were normalized to the intensity of the transmitted beam and radially averaged. The scattering of the solvent-blank was subtracted from the SEC-peak frames using ScÅtter and then analysed using Primus to produce the data displayed in this entry.","tags":[],"intensity_unit":null,"experimental_mw":91.4,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":null,"porod_mw_error":null,"pddf_i0":0.0627,"pddf_i0_error":0.0001,"guinier_i0":0.061,"guinier_i0_error":7e-05,"pddf_rg":3.55,"pddf_rg_error":0.23,"guinier_rg":3.24,"guinier_rg_error":0.06,"pddf_dmax":16.87,"pddf_dmax_error":null,"porod_volume":146.0,"porod_volume_error":null,"estimated_volume":178.0,"estimated_volume_error":null,"guinier_point_first":36,"guinier_point_last":130,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDC72_datloglog_img.png","symmetry":null,"last_modified":"2021-01-04T12:08:43.215101+01:00","bragg_peak":[]}