{"code":"SASDEL9","status":"Published","type_of_curve":"SEC-SAS","angular_unit":"1/A","project":{"title":"Complementary substrate specificity and distinct quaternary assembly of the <i>Escherichia coli</i> aerobic and anaerobic beta-oxidation trifunctional enzyme complexes.","publication":{"title":"Complementary substrate specificity and distinct quaternary assembly of the <i>Escherichia coli</i> aerobic and anaerobic beta-oxidation trifunctional enzyme complexes.","author_list":"Sah-Teli SK, Hynönen MJ, Schmitz W, Geraets JA, Seitsonen J, Pedersen JS, Butcher SJ, Wierenga RK, Venkatesan R","journal":"Biochem J","doi":"10.1042/BCJ20190314","pmid":"31235482","published_date":"2019 Jun 25"},"status":"released","submitted_date":"2018-12-28","released_date":"2019-07-02"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDEL9.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDEL9.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEL9_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEL9_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDEL9_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEL9_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDEL9.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":"Fatty acid oxidation complex subunit alpha","short_name":"EcTFE-alpha","sequence":">EcTFE-alpha\r\nMGSSHHHHHHSQDPMLYKGDTLYLDWLEDGIAELVFDAPGSVNKLDTATVASLGEAIGVLEQQSDLKGLLLRSNKAAFIVGADITEFLS\r\nLFLVPEEQLSQWLHFANSVFNRLEDLPVPTIAAVNGYALGGGCECVLATDYRLATPDLRIGLPETKLGIMPGFGG\r\nSVRMPRMLGADSALEIIAAGKDVGADQALKIGLVDGVVKAEKLVEGAKAVLRQAINGDLDWKAKRQPKLEPLKLS\r\nKIEATMSFTIAKGMVAQTAGKHYPAPITAVKTIEAAARFGREEALNLENKSFVPLAHTNEARALVGIFLNDQYVK\r\nGKAKKLTKDVETPKQAAVLGAGIMGGGIAYQSAWKGVPVVMKDINDKSLTLGMTEAAKLLNKQLERGKIDGLKLA\r\nGVISTIHPTLDYAGFDRVDIVVEAVVENPKVKKAVLAETEQKVRQDTVLASNTSTIPISELANALERPENFCGMH\r\nFFNPVHRMPLVEIIRGEKSSDETIAKVVAWASKMGKTPIVVNDCPGFFVNRVLFPYFAGFSQLLRDGADFRKIDK\r\nVMEKQFGWPMGPAYLLDVVGIDTAHHAQAVMAAGFPQRMQKDYRDAIDALFDANRFGQKNGLGFWRYKEDSKGKP\r\nKKEEDAAVEDLLAEVSQPKRDFSEEEIIARMMIPMVNEVVRCLEEGIIATPAEADMALVYGLGFPPFHGGAFRWL\r\nDTLGSAKYLDMAQQYQHLGPLYEVPEGLRNKARHNEPYYPPVEPARPVGDLKTA","organism":"Escherichia coli","uniprot_code":"P21177","uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":"MLYKGDTLYLDWLEDGIAELVFDAPGSVNKLDTATVASLGEAIGVLEQQSDLKGLLLRSN\nKAAFIVGADITEFLSLFLVPEEQLSQWLHFANSVFNRLEDLPVPTIAAVNGYALGGGCEC\nVLATDYRLATPDLRIGLPETKLGIMPGFGGSVRMPRMLGADSALEIIAAGKDVGADQALK\nIGLVDGVVKAEKLVEGAKAVLRQAINGDLDWKAKRQPKLEPLKLSKIEATMSFTIAKGMV\nAQTAGKHYPAPITAVKTIEAAARFGREEALNLENKSFVPLAHTNEARALVGIFLNDQYVK\nGKAKKLTKDVETPKQAAVLGAGIMGGGIAYQSAWKGVPVVMKDINDKSLTLGMTEAAKLL\nNKQLERGKIDGLKLAGVISTIHPTLDYAGFDRVDIVVEAVVENPKVKKAVLAETEQKVRQ\nDTVLASNTSTIPISELANALERPENFCGMHFFNPVHRMPLVEIIRGEKSSDETIAKVVAW\nASKMGKTPIVVNDCPGFFVNRVLFPYFAGFSQLLRDGADFRKIDKVMEKQFGWPMGPAYL\nLDVVGIDTAHHAQAVMAAGFPQRMQKDYRDAIDALFDANRFGQKNGLGFWRYKEDSKGKP\nKKEEDAAVEDLLAEVSQPKRDFSEEEIIARMMIPMVNEVVRCLEEGIIATPAEADMALVY\nGLGFPPFHGGAFRWLDTLGSAKYLDMAQQYQHLGPLYEVPEGLRNKARHNEPYYPPVEPA\nRPVGDLKTA","mw":81.206,"total_mw":81.206,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null},{"long_name":"Fatty 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coli","uniprot_code":"P21177","uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":"MLYKGDTLYLDWLEDGIAELVFDAPGSVNKLDTATVASLGEAIGVLEQQSDLKGLLLRSN\nKAAFIVGADITEFLSLFLVPEEQLSQWLHFANSVFNRLEDLPVPTIAAVNGYALGGGCEC\nVLATDYRLATPDLRIGLPETKLGIMPGFGGSVRMPRMLGADSALEIIAAGKDVGADQALK\nIGLVDGVVKAEKLVEGAKAVLRQAINGDLDWKAKRQPKLEPLKLSKIEATMSFTIAKGMV\nAQTAGKHYPAPITAVKTIEAAARFGREEALNLENKSFVPLAHTNEARALVGIFLNDQYVK\nGKAKKLTKDVETPKQAAVLGAGIMGGGIAYQSAWKGVPVVMKDINDKSLTLGMTEAAKLL\nNKQLERGKIDGLKLAGVISTIHPTLDYAGFDRVDIVVEAVVENPKVKKAVLAETEQKVRQ\nDTVLASNTSTIPISELANALERPENFCGMHFFNPVHRMPLVEIIRGEKSSDETIAKVVAW\nASKMGKTPIVVNDCPGFFVNRVLFPYFAGFSQLLRDGADFRKIDKVMEKQFGWPMGPAYL\nLDVVGIDTAHHAQAVMAAGFPQRMQKDYRDAIDALFDANRFGQKNGLGFWRYKEDSKGKP\nKKEEDAAVEDLLAEVSQPKRDFSEEEIIARMMIPMVNEVVRCLEEGIIATPAEADMALVY\nGLGFPPFHGGAFRWLDTLGSAKYLDMAQQYQHLGPLYEVPEGLRNKARHNEPYYPPVEPA\nRPVGDLKTA","mw":81.206,"total_mw":81.206,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null},{"long_name":"3-ketoacyl-CoA thiolase FadA (beta subunit)","short_name":"EcTFE-beta","sequence":">EcTFE-beta\r\nMEQVVIVDAIRTPMGRSKGGAFRNVRAEDLSAHLMRSLLARNPALEAAALDDIYWGCVQQTLEQGFNIARNAALL\r\nAEVPHSVPAVTVNRLCGSSMQALHDAARMIMTGDAQACLVGGVEHMGHVPMSHGVDFHPGLSRNVAKAAGMMGLT\r\nAEMLARMHGISREMQDAFAARSHARAWAATQSAAFKNEIIPTGGHDADGVLKQFNYDEVIRPETTVEALATLRPA\r\nFDPVNGMVTAGTSSALSDGAAAMLVMSESRAHELGLKPRARVRSMAVVGCDPSIMGYGPVPASKLALKKAGLSAS\r\nDIGVFEMNEAFAAQILPCIKDLGLIEQIDEKINLNGGAIALGHPLGCSGARISTTLLNLMERKDVQFGLATMCIG\r\nLGQGIATVFERV","organism":"Escherichia coli","uniprot_code":"P21151","uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"dimer","molecular_type":"protein","uniprot_sequence":"MEQVVIVDAIRTPMGRSKGGAFRNVRAEDLSAHLMRSLLARNPALEAAALDDIYWGCVQQ\nTLEQGFNIARNAALLAEVPHSVPAVTVNRLCGSSMQALHDAARMIMTGDAQACLVGGVEH\nMGHVPMSHGVDFHPGLSRNVAKAAGMMGLTAEMLARMHGISREMQDAFAARSHARAWAAT\nQSAAFKNEIIPTGGHDADGVLKQFNYDEVIRPETTVEALATLRPAFDPVNGMVTAGTSSA\nLSDGAAAMLVMSESRAHELGLKPRARVRSMAVVGCDPSIMGYGPVPASKLALKKAGLSAS\nDIGVFEMNEAFAAQILPCIKDLGLIEQIDEKINLNGGAIALGHPLGCSGARISTTLLNLM\nERKDVQFGLATMCIGLGQGIATVFERV","mw":40.876,"total_mw":81.752,"number_molecules":2,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"20 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES), 120 mM KCl, 2.5 mM DTT","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.2,"deuteration":null},"purity_method":null,"name":"Escherichia coli aerobic fatty acid beta-oxidation trifunctional enzyme complex","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Finland","full_name":"University of Oulu","webpage":"https://www.oulu.fi"}],"contributor_name":"shiv k.","contributor_surname":"sah-teli","orcid":""}],"concentration_method":null,"concentration_unit":null,"date":"2017-05-30","storage_temperature":4.0,"cell_temperature":20.0,"exposure_time":3.0,"number_of_frames":540,"wavelength":0.1,"sample_detector_distance":4.014,"concentration_min":null,"concentration_max":6.2,"sample_volume":null,"flow_rate":null,"s_min":0.167,"s_max":1.913,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDEL9_fit1_model1_img.png","software":"DAMMIN","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDEL9_fit1_model1.pdb","model_mw":227.515,"bead_radius":5.8,"log":"https://www.sasbdb.org/media/log_files/EcTFEdam.log","symmetry":"p1","comment":null,"user":400}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/EcTFEdam_fit_img.png","software":"DAMMIN","chi_square_value":1.029,"p_value":0.936796,"fit_residual_plot":"EcTFEdam_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDEL9_fit1.fir","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/EcTFEdam.log","software_version":null,"description":"we have used DAMMIN through online ATSAS package using the online cluster of EMBL, Hamburg, Germany"},{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDEL9_fit2_model1_img.png","software":"SwissModel","pdb_link":[],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDEL9_fit2_model1.pdb","model_mw":237.1,"bead_radius":null,"log":null,"symmetry":null,"comment":"subunits and complex were modeled using swissmodel and coot respectively  using 1wdm.pdb as referenc","user":400}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/EcTFEmodelon1wdm00_fit_img.png","software":"CRYSOL","chi_square_value":1.357,"p_value":1e-06,"fit_residual_plot":"EcTFEmodelon1wdm00_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDEL9_fit2.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/EcTFEmodelon1wdm00.log","software_version":null,"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 the E. coli aerobic fatty acid beta-oxidation trifunctional enzyme complex in 20 mM HEPES, 120 mM KCl, 2.5 mM DTT, pH 7.2 were measured at 20°C using size-exclusion chromatography SAXS (SEC-SAXS) on the B21 beam line 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 (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). The data were collected as 540 successive 3 second frames through the SEC elution profile  (sample concentration = 6.20 mg/ml ). The SAXS data were measured from the sample and buffer from a Shodex KW403 column at flow rate of 0.16 mL/min. The sample-peak data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted and the individual subtracted data sets were scaled and averaged to generate the scattering profile displayed in this entry.","tags":[],"intensity_unit":"1/cm","experimental_mw":233.0,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":253.0,"porod_mw_error":null,"pddf_i0":0.06542,"pddf_i0_error":null,"guinier_i0":0.06559,"guinier_i0_error":0.0005,"pddf_rg":4.59,"pddf_rg_error":null,"guinier_rg":4.612,"guinier_rg_error":0.04,"pddf_dmax":16.04,"pddf_dmax_error":null,"porod_volume":406.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":1,"guinier_point_last":51,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDEL9_datloglog_img.png","symmetry":null,"last_modified":"2020-11-09T18:33:41.024084+01:00","bragg_peak":[]}