{"code":"SASDCL9","status":"Published","type_of_curve":"SEC-SAS","angular_unit":"1/A","project":{"title":"Calmodulin fishing with a structurally disordered bait triggers CyaA catalysis.","publication":{"title":"Calmodulin fishing with a structurally disordered bait triggers CyaA catalysis.","author_list":"O'Brien DP, Durand D, Voegele A, Hourdel V, Davi M, Chamot-Rooke J, Vachette P, Brier S, Ladant D, Chenal A","journal":"PLoS Biol","doi":"10.1371/journal.pbio.2004486","pmid":"29287065","published_date":"2017 Dec"},"status":"released","submitted_date":"2017-11-28","released_date":"2018-01-03"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDCL9.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDCL9.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDCL9_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDCL9_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDCL9_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDCL9_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDCL9.sascif","experiment":{"instrument":{"detector":{"type":"CCD","name":"AVIEX PCCD170170","resolution":null},"name":"SOLEIL","city":"Saint-Aubin","country":"France","beamline_name":"SWING","beam_geometry":"","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":"Bifunctional hemolysin/adenylate cyclase","short_name":"AC domain from CyaA","sequence":"MQQSHQAGYANAADRESGIPAAVLDGIKAVAKEKNATLMFRLVNPHSTSLIAEGVATKGLGV\r\nHAKSSDWGLQAGYIPVNPNLSKLFGRAPEVIARADNDVNSSLAHGHTAVDLTLSKERLDYLR\r\nQAGLVTGMADGVVASNHAGYEQFEFRVKETSDGRYAVQYRRKGGDDFEAVKVIGNAAGIPLT\r\nADIDMFAIMPHLSNFRDSARSSVTSGDSVTDYLARTRRAASEATGGLDRERIDLLWKIARAG\r\nARSAVGTEARRQFRYDGDMNIGVITDFELEVRNALNRRAHAVGAQDVVQHGTEQNNPFPEAD\r\nEKIFVVSATGESQMLTRGQLKEYIGQQRGEGYVFYENRAYGVAGKSLFDDGLGA","organism":"Bordetella pertussis","uniprot_code":"P0DKX7","uniprot_range_first":1,"uniprot_range_last":364,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":"MQQSHQAGYANAADRESGIPAAVLDGIKAVAKEKNATLMFRLVNPHSTSLIAEGVATKGL\nGVHAKSSDWGLQAGYIPVNPNLSKLFGRAPEVIARADNDVNSSLAHGHTAVDLTLSKERL\nDYLRQAGLVTGMADGVVASNHAGYEQFEFRVKETSDGRYAVQYRRKGGDDFEAVKVIGNA\nAGIPLTADIDMFAIMPHLSNFRDSARSSVTSGDSVTDYLARTRRAASEATGGLDRERIDL\nLWKIARAGARSAVGTEARRQFRYDGDMNIGVITDFELEVRNALNRRAHAVGAQDVVQHGT\nEQNNPFPEADEKIFVVSATGESQMLTRGQLKEYIGQQRGEGYVFYENRAYGVAGKSLFDD\nGLGAAPGVPSGRSKFSPDVLETVPASPGLRRPSLGAVERQDSGYDSLDGVGSRSFSLGEV\nSDMAAVEAAELEMTRQVLHAGARQDDAEPGVSGASAHWGQRALQGAQAVAAAQRLVHAIA\nLMTQFGRAGSTNTPQEAASLSAAVFGLGEASSAVAETVSGFFRGSSRWAGGFGVAGGAMA\nLGGGIAAAVGAGMSLTDDAPAGQKAAAGAEIALQLTGGTVELASSIALALAAARGVTSGL\nQVAGASAGAAAGALAAALSPMEIYGLVQQSHYADQLDKLAQESSAYGYEGDALLAQLYRD\nKTAAEGAVAGVSAVLSTVGAAVSIAAAASVVGAPVAVVTSLLTGALNGILRGVQQPIIEK\nLANDYARKIDELGGPQAYFEKNLQARHEQLANSDGLRKMLADLQAGWNASSVIGVQTTEI\nSKSALELAAITGNADNLKSVDVFVDRFVQGERVAGQPVVLDVAAGGIDIASRKGERPALT\nFITPLAAPGEEQRRRTKTGKSEFTTFVEIVGKQDRWRIRDGAADTTIDLAKVVSQLVDAN\nGVLKHSIKLDVIGGDGDDVVLANASRIHYDGGAGTNTVSYAALGRQDSITVSADGERFNV\nRKQLNNANVYREGVATQTTAYGKRTENVQYRHVELARVGQLVEVDTLEHVQHIIGGAGND\nSITGNAHDNFLAGGSGDDRLDGGAGNDTLVGGEGQNTVIGGAGDDVFLQDLGVWSNQLDG\nGAGVDTVKYNVHQPSEERLERMGDTGIHADLQKGTVEKWPALNLFSVDHVKNIENLHGSR\nLNDRIAGDDQDNELWGHDGNDTIRGRGGDDILRGGLGLDTLYGEDGNDIFLQDDETVSDD\nIDGGAGLDTVDYSAMIHPGRIVAPHEYGFGIEADLSREWVRKASALGVDYYDNVRNVENV\nIGTSMKDVLIGDAQANTLMGQGGDDTVRGGDGDDLLFGGDGNDMLYGDAGNDTLYGGLGD\nDTLEGGAGNDWFGQTQAREHDVLRGGDGVDTVDYSQTGAHAGIAAGRIGLGILADLGAGR\nVDKLGEAGSSAYDTVSGIENVVGTELADRITGDAQANVLRGAGGADVLAGGEGDDVLLGG\nDGDDQLSGDAGRDRLYGEAGDDWFFQDAANAGNLLDGGDGRDTVDFSGPGRGLDAGAKGV\nFLSLGKGFASLMDEPETSNVLRNIENAVGSARDDVLIGDAGANVLNGLAGNDVLSGGAGD\nDVLLGDEGSDLLSGDAGNDDLFGGQGDDTYLFGVGYGHDTIYESGGGHDTIRINAGADQL\nWFARQGNDLEIRILGTDDALTVHDWYRDADHRVEIIHAANQAVDQAGIEKLVEAMAQYPD\nPGAAAAAPPAARVPDTLMQSLAVNWR","mw":39.38,"total_mw":39.38,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null},{"long_name":"Calmodulin","short_name":"CaM","sequence":"MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNG\r\nTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDE\r\nMIREADIDGDGQVNYEEFVQMMTAK","organism":"Homo sapiens","uniprot_code":"P62158","uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":null,"mw":16.837,"total_mw":16.837,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"20 mM Hepes, 150 mM NaCl, 4 mM CaCl2","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.4,"deuteration":null},"purity_method":null,"name":"Catalytic domain (AC) of B. Pertussis Adenylate Cyclase Toxin (CyaA) in complex with calmodulin","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Paris, France","full_name":"I2BC-CNRS","webpage":"http://www.i2bc.paris-saclay.fr"}],"contributor_name":"Dominique","contributor_surname":"DURAND","orcid":null}],"concentration_method":null,"concentration_unit":null,"date":"2015-06-19","storage_temperature":10.0,"cell_temperature":15.0,"exposure_time":1.5,"number_of_frames":250,"wavelength":0.1,"sample_detector_distance":1.987,"concentration_min":null,"concentration_max":null,"sample_volume":null,"flow_rate":null,"s_min":0.061,"s_max":4.004,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDCL9_fit1_model1_img.png","software":"BUNCH","pdb_link":[],"model_title":null,"type_of_model":"mix","software_version":"08","model_data":"https://www.sasbdb.org/media/pdb_file/SASDCL9_fit1_model1.pdb","model_mw":56.3,"bead_radius":1.9,"log":null,"symmetry":null,"comment":null,"user":262}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDCL9_fit1_fit_img.png","software":"CRYSOL","chi_square_value":1.956,"p_value":0.0,"fit_residual_plot":"fit4columns1207_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDCL9_fit1.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/ACCAM_Bunch00.log","software_version":"2.8.3","description":null},{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDCL9_fit2_model1_img.png","software":"EOM/RANCH","pdb_link":[],"model_title":null,"type_of_model":"atomic","software_version":"2.1","model_data":"https://www.sasbdb.org/media/pdb_file/SASDCL9_fit2_model1.pdb","model_mw":563.0,"bead_radius":1.9,"log":null,"symmetry":null,"comment":null,"user":262}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDCL9_fit2_fit_img.png","software":"EOM/GAJOE","chi_square_value":1.41,"p_value":0.000713,"fit_residual_plot":"fit4columns1209_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDCL9_fit2.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/logFile_Ensemble_VmzgjMW.log","software_version":"2.1","description":null}],"estimated_volume_method":null,"pddf_software":"ATSAS GNOM","pddf_software_version":"5.0","i0_calibration_standard":null,"description":"The scattered intensities were displayed on an absolute scale (cm-1) using the scattering of water. Frames were examined individually and 20 identical frames were averaged and further processed. The corresponding concentration was 0.82 g/L.\r\nThree independent determinations of the molecular mass were obtained from the value of I(0)/c, where c is the protein concentration, and using the programs SAXSMow2 and ScÅtter3 available at the URLs http://saxs.ifsc.usp.br/ and https://bl1231.als.lbl.gov/scatter/, respectively. The average value is The average value is MWexperimental=56.3 kDa.\r\nAC-CAM complex: \r\nTop panel: Comparison of the experimental data (blue dots) with the calculated scattering pattern (red line) of the BUNCH model shown on the right. chi2=1.96. Each CaM domain were handled as rigid bodies while the program searches an optimal conformation of the inter-domain helix of CaM.\r\nBottom panel: Typical ensemble of conformations describing the AC:CaM complex, obtained using the program EOM and displayed after superimposition of the AC moiety of each conformation. chi2=1.41. The corresponding scattering curve is shown in red superimposed over experimental data (blue dots).","experiment_description":"Synchrotron SAXS data from solutions of the catalytic domain (AC) of B. Pertussis adenylate cyclase toxin (CyaA) in complex with calmodulin in 20 mM Hepes, 150 mM NaCl, 4 mM CaCl2, pH 7.4 were collected on the SWING beam line at the SOLEIL storage ring (Saint-Aubin, France) using a CCD AVIEX detector at a sample-detector distance of 2.0 m and at a wavelength of λ = 0.1 nm (I(s) vs s, where s = 4πsin θ/λ and 2θ is the scattering angle). 250 successive 1.500 second frames were collected at at 15°C using size-exclusion chromatography SAXS.","tags":[],"intensity_unit":"1/cm","experimental_mw":56.3,"experimental_mw_error":null,"guinier_i0_mw":56.3,"guinier_i0_mw_error":3.0,"porod_mw":51.9,"porod_mw_error":null,"pddf_i0":0.0383,"pddf_i0_error":0.0003,"guinier_i0":0.0383,"guinier_i0_error":0.0003,"pddf_rg":2.97,"pddf_rg_error":0.03,"guinier_rg":2.92,"guinier_rg_error":0.03,"pddf_dmax":9.8,"pddf_dmax_error":0.5,"porod_volume":77.9,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":1,"guinier_point_last":58,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDCL9_datloglog_img.png","symmetry":null,"last_modified":"2019-12-06T13:07:15.624532+01:00","bragg_peak":[]}