{"code":"SASDCK3","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/SASDCK3.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDCK3.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDCK3_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDCK3_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDCK3_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDCK3_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDCK3.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":"MAVTNVAELNALVERVKKAQREYASFTQEQVDKIFRAAALAAADARIPLAKMAVAESGMG\r\nIVEDKVIKNHFASEYIYNAYKDEKTCGVLSEDDTFGTITIAEPIGIICGIVPTTNPTSTA\r\nIFKSLISLKTRNAIIFSPHPRAKDATNKAADIVLQAAIAAGAPKDLIGWIDQPSVELSNA\r\nLMHHPDINLILATGGPGMVKAAYSSGKPAIGVGAGNTPVVIDETADIKRAVASVLMSKTF\r\nDNGVICASEQSVVVVDSVYDAVRERFATHGGYLLQGKELKAVQDVILKNGALNAAIVGQP\r\nAYKIAELAGFSVPENTKILIGEVTVVDESEPFAHEKLSPTLAMYRAKDFEDAVEKAEKLV\r\nAMGGIGHTSCLYTDQDNQPARVSYFGQKMKTARILINTPASQGGIGDLYNFKLAPSLTLG\r\nCGSWGGNSISENVGPKHLINKKTVAHHHHHH","organism":"Escherichia coli O157:H7","uniprot_code":"P0A9Q8","uniprot_range_first":1,"uniprot_range_last":445,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":"MAVTNVAELNALVERVKKAQREYASFTQEQVDKIFRAAALAAADARIPLAKMAVAESGMG\nIVEDKVIKNHFASEYIYNAYKDEKTCGVLSEDDTFGTITIAEPIGIICGIVPTTNPTSTA\nIFKSLISLKTRNAIIFSPHPRAKDATNKAADIVLQAAIAAGAPKDLIGWIDQPSVELSNA\nLMHHPDINLILATGGPGMVKAAYSSGKPAIGVGAGNTPVVIDETADIKRAVASVLMSKTF\nDNGVICASEQSVVVVDSVYDAVRERFATHGGYLLQGKELKAVQDVILKNGALNAAIVGQP\nAYKIAELAGFSVPENTKILIGEVTVVDESEPFAHEKLSPTLAMYRAKDFEDAVEKAEKLV\nAMGGIGHTSCLYTDQDNQPARVSYFGQKMKTARILINTPASQGGIGDLYNFKLAPSLTLG\nCGSWGGNSISENVGPKHLINKKTVAKRAENMLWHKLPKSIYFRRGSLPIALDEVITDGHK\nRALIVTDRFLFNNGYADQITSVLKAAGVETEVFFEVEADPTLSIVRKGAELANSFKPDVI\nIALGGGSPMDAAKIMWVMYEHPETHFEELALRFMDIRKRIYKFPKMGVKAKMIAVTTTSG\nTGSEVTPFAVVTDDATGQKYPLADYALTPDMAIVDANLVMDMPKSLCAFGGLDAVTHAME\nAYVSVLASEFSDGQALQALKLLKEYLPASYHEGSKNPVARERVHSAATIAGIAFANAFLG\nVCHSMAHKLGSQFHIPHGLANALLICNVIRYNANDNPTKQTAFSQYDRPQARRRYAEIAD\nHLGLSAPGDRTAAKIEKLLAWLETLKAELGIPKSIREAGVQEADFLANVDKLSEDAFDDQ\nCTGANPRYPLISELKQILLDTYYGRDYVEGETAAKKEAAPAKAEKKAKKSA","mw":48.038,"total_mw":48.038,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"30 mM HEPES, 150 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":"Aldehyde dehydrogenase","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":"2017-01-30","storage_temperature":4.0,"cell_temperature":4.0,"exposure_time":1.0,"number_of_frames":18,"wavelength":0.1,"sample_detector_distance":4.04,"concentration_min":null,"concentration_max":2.0,"sample_volume":null,"flow_rate":null,"s_min":0.04,"s_max":4.415,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDCK3_fit1_model1_img.png","software":"DAMMIF","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"","model_data":"https://www.sasbdb.org/media/pdb_file/SASDCK3_fit1_model1.pdb","model_mw":46.2,"bead_radius":2.4,"log":"https://www.sasbdb.org/media/log_files/D1-AdhE1_7.log","symmetry":"P1","comment":"","user":193}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDCK3_fit1_fixed_fit_img.png","software":"DAMMIF","chi_square_value":1.774,"p_value":0.4599,"fit_residual_plot":"SASDCK3_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDCK3_fit1.fir","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/D1-AdhE1_7.log","software_version":"","description":null},{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDCK3_fit2_model1_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/SASDCK3_fit2_model1.pdb","model_mw":46.036,"bead_radius":2.5,"log":null,"symmetry":"P1","comment":"this is the averaged representation of the model","user":193}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDCK3_fit2_fixed_fit_img.png","software":"DAMMIF","chi_square_value":1.773,"p_value":0.4599,"fit_residual_plot":"SASDCK3_fit2_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDCK3_fit2.fir","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/D1-AdhE1_7_Es14JHH.log","software_version":"","description":null}],"estimated_volume_method":null,"pddf_software":"ATSAS GNOM","pddf_software_version":null,"i0_calibration_standard":null,"description":"Aldehyde dehydrogenase (AldDH) is the N-terminal domain of the bifunctional alcohol/aldehyde dehydrogenase (AdhE; SASBDB entry SASDC72) spanning amino acids 1-445 of the full-length protein. SAXS data were measured from a protein construct that included a C-terminal 6 x histidine affinity chromatography  tag. The buffer subtraction was performed using Scatter. Subsequent analysis was performed using PRIMUS (ATSAS 2.7.1).","experiment_description":"Synchrotron SAXS data from solutions of aldehyde dehydrogenase in 30 mM HEPES, 150 mM NaCl, 5% (v/v) glycerol, pH 7.5 were collected on the B21 camera at the  Diamond Light Source (Oxfordshire, UK) using a Pilatus 2M detector at a sample-detector distance of 4.0 m and at a wavelength of λ = 0.1 nm ((Is) vs s, where s = 4πsinθ/λ and 2θ is the scattering angle). One solute concentration of 2.00 mg/ml was measured at 4°C. 18 successive 1 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged and the scattering of the solvent-blank was subtracted to obtain the SAXS profile displayed in this entry.","tags":[],"intensity_unit":null,"experimental_mw":46.5,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":46.5,"porod_mw_error":null,"pddf_i0":0.1826,"pddf_i0_error":0.0002068,"guinier_i0":0.18,"guinier_i0_error":0.00016,"pddf_rg":2.74,"pddf_rg_error":0.062,"guinier_rg":2.68,"guinier_rg_error":1.68,"pddf_dmax":11.1,"pddf_dmax_error":null,"porod_volume":74.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":20,"guinier_point_last":182,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDCK3_datloglog_img.png","symmetry":null,"last_modified":"2021-01-04T12:08:43.437315+01:00","bragg_peak":[]}