{"code":"SASDDB5","status":"Published","type_of_curve":"Single concentration","angular_unit":"1/A","project":{"title":"Conformational States of ABC Transporter MsbA in a Lipid Environment Investigated by Small-Angle Scattering Using Stealth Carrier Nanodiscs.","publication":{"title":"Conformational States of ABC Transporter MsbA in a Lipid Environment Investigated by Small-Angle Scattering Using Stealth Carrier Nanodiscs.","author_list":"Josts I, Nitsche J, Maric S, Mertens HD, Moulin M, Haertlein M, Prevost S, Svergun DI, Busch S, Forsyth VT, Tidow H","journal":"Structure","doi":"10.1016/j.str.2018.05.007","pmid":"29937358","published_date":"2018 Aug 7"},"status":"released","submitted_date":null,"released_date":"2018-06-27"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDDB5.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDDB5.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDB5_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDB5_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDDB5_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDB5_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDDB5.sascif","experiment":{"instrument":{"detector":{"type":"3-He gas detector","name":"CERCA","resolution":7.5},"name":"ILL","city":"Grenoble","country":"France","beamline_name":"D11","beam_geometry":null,"type_of_source":"neutron source","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":"Lipid A export ATP-binding/permease protein MsbA","short_name":"MsbA","sequence":"MHHHHHHGENLYFQGSHNDKDLSTWQTFRRLWPTIAPFKAGLIVAGVALILNAASDTFMLSLLKPLLDDGFGKTD\r\nRSVLVWMPLVVIGLMILRGITSYVSSYCISWVSGKVVMTMRRRLFGHMMGMPVSFFDKQS\r\nTGTLLSRITYDSEQVASSSSGALITVVREGASIIGLFIMMFYYSWQLSIILIVLAPIVSI\r\nAIRVVSKRFRNISKNMQNTMGQVTTSAEQMLKGHKEVLIFGGQEVETKRFDKVSNRMRLQ\r\nGMKMVSASSISDPIIQLIASLALAFVLYAASFPSVMDSLTAGTITVVFSSMIALMRPLKS\r\nLTNVNAQFQRGMAACQTLFTILDSEQEKDEGKRVIERATGDVEFRNVTFTYPGRDVPALR\r\nNINLKIPAGKTVALVGRSGSGKSTIASLITRFYDIDEGEILMDGHDLREYTLASLRNQVA\r\nLVSQNVHLFNDTVANNIAYARTEQYSREQIEEAARMAYAMDFINKMDNGLDTVIGENGVL\r\nLSGGQRQRIAIARALLRDSPILILDEATSALDTESERAIQAALDELQKNRTSLVIAHRLS\r\nTIEKADEIVVVEDGVIVERGTHNDLLEHRGVYAQLHKMQFGQ","organism":"Escherichia coli","uniprot_code":"P60752","uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"dimer","molecular_type":"protein","uniprot_sequence":"MHNDKDLSTWQTFRRLWPTIAPFKAGLIVAGVALILNAASDTFMLSLLKPLLDDGFGKTD\nRSVLVWMPLVVIGLMILRGITSYVSSYCISWVSGKVVMTMRRRLFGHMMGMPVSFFDKQS\nTGTLLSRITYDSEQVASSSSGALITVVREGASIIGLFIMMFYYSWQLSIILIVLAPIVSI\nAIRVVSKRFRNISKNMQNTMGQVTTSAEQMLKGHKEVLIFGGQEVETKRFDKVSNRMRLQ\nGMKMVSASSISDPIIQLIASLALAFVLYAASFPSVMDSLTAGTITVVFSSMIALMRPLKS\nLTNVNAQFQRGMAACQTLFTILDSEQEKDEGKRVIERATGDVEFRNVTFTYPGRDVPALR\nNINLKIPAGKTVALVGRSGSGKSTIASLITRFYDIDEGEILMDGHDLREYTLASLRNQVA\nLVSQNVHLFNDTVANNIAYARTEQYSREQIEEAARMAYAMDFINKMDNGLDTVIGENGVL\nLSGGQRQRIAIARALLRDSPILILDEATSALDTESERAIQAALDELQKNRTSLVIAHRLS\nTIEKADEIVVVEDGVIVERGTHNDLLEHRGVYAQLHKMQFGQ","mw":66.279,"total_mw":132.558,"number_molecules":2,"complex_state":false,"deuteration":0.0,"molecule_source":"biological","molecule_description":null},{"long_name":"Membrane scaffold protein 1D1 (deuterated, 75%)","short_name":"d75-msp1d1","sequence":"GHHHHHHHDYDIPTTENLYFQGSTFSKLREQLGPVTQEFWDNLEKETEGLRQEM\r\nSKDLEEVKAKVQPYLDDFQKKWQEEMELYRQKVEPLRAELQEGARQKLHELQE\r\nKLSPLGEEMRDRARAHVDALRTHLAPYSDELRQRLAARLEALKENGGARLAEY\r\nHAKATEHLSTLSEKAKPALEDLRQGLLPVLESFKVSFLSALEEYTKKLNTQ","organism":null,"uniprot_code":null,"uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"dimer","molecular_type":"protein","uniprot_sequence":null,"mw":24.661,"total_mw":49.322,"number_molecules":0,"complex_state":false,"deuteration":75.0,"molecule_source":"biological","molecule_description":null},{"long_name":"1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine (deuteration: 78% head, 92% acyl)","short_name":"d(78,92)-POPC","sequence":"C42H82NO8P","organism":"Escherichia coli","uniprot_code":null,"uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"unknown","molecular_type":"other","uniprot_sequence":null,"mw":0.76,"total_mw":0.76,"number_molecules":124,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"30 mM Tris, 150 mM NaCl","concentration_unit":null,"comment":"nanodisc buffer","additive":null,"concentration":null,"pka":null,"ph":7.5,"deuteration":null},"purity_method":null,"name":"MsbA in stealth nanodisc (SANS, 100% D2O)","ext_coefficient":null,"contrast":-3.313,"specific_vol":0.745,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":"EMBL-Hamburg","address":"Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany","full_name":"European Molecular Biology Laboratory (EMBL) - Hamburg outstation","webpage":"http://www.embl-hamburg.de/index.php"}],"contributor_name":"Haydyn","contributor_surname":"Mertens","orcid":null}],"concentration_method":null,"concentration_unit":null,"date":"2017-03-09","storage_temperature":10.0,"cell_temperature":10.0,"exposure_time":4200.0,"number_of_frames":2,"wavelength":0.46,"sample_detector_distance":null,"concentration_min":1.0,"concentration_max":6.0,"sample_volume":null,"flow_rate":null,"s_min":0.097,"s_max":3.091,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDDB5_fit1_model1_img.png","software":"SASREF CV","pdb_link":[],"model_title":null,"type_of_model":"atomic","software_version":"2.8.3","model_data":"https://www.sasbdb.org/media/pdb_file/SASDDB5_fit1_model1.pdb","model_mw":121.5,"bead_radius":null,"log":null,"symmetry":"P2","comment":"Dimer model of MsbA using ambiguous distance constraints between monomers (PDB ID: 3B5X)","user":12}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDB5_fit1_fit_img.png","software":"SASREF","chi_square_value":1.407,"p_value":2e-06,"fit_residual_plot":"SASDDB5_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDDB5_fit1.fit","fit_log":null,"software_version":"2.8.3","description":null}],"estimated_volume_method":null,"pddf_software":"ATSAS GNOM","pddf_software_version":"2.8.3","i0_calibration_standard":null,"description":"MsbA ABC transporter protein encapsulated in a partially deuterated \"stealth-nanodisc\": (sND). Disc components (MSP1D1 scaffold protein - 75% deuterated, and POPC lipid - heads/tails 78% and 92% deuterated) are effectively matched out at 100% D2O. Thus the expected molecular weight should correspond to that of the MsbA protein (~132 kDa). Data measured in two configurations: 1.5 m / 1.5 m and 8 m / 8 m (collimation length / sample-detector distances) with a fixed neutron wavelength (λ) of 5 Å. Data is merged from these two configurations.","experiment_description":null,"tags":[],"intensity_unit":"1/cm","experimental_mw":145.0,"experimental_mw_error":null,"guinier_i0_mw":145.0,"guinier_i0_mw_error":15.0,"porod_mw":118.0,"porod_mw_error":null,"pddf_i0":0.8931,"pddf_i0_error":0.003,"guinier_i0":0.89,"guinier_i0_error":0.003,"pddf_rg":4.01,"pddf_rg_error":0.1,"guinier_rg":4.0,"guinier_rg_error":0.1,"pddf_dmax":13.0,"pddf_dmax_error":0.5,"porod_volume":189.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":8,"guinier_point_last":22,"pddf_point_first":9,"pddf_point_last":100,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDDB5_datloglog_img.png","symmetry":null,"last_modified":"2024-11-27T06:49:40.800927+01:00","bragg_peak":[]}