{"code":"SASDF55","status":"Published","type_of_curve":"Merged","angular_unit":"1/nm","project":{"title":"Molecular mechanism of leukocidin GH-integrin CD11b/CD18 recognition and species specificity.","publication":{"title":"Molecular mechanism of leukocidin GH-integrin CD11b/CD18 recognition and species specificity.","author_list":"Trstenjak N, Milić D, Graewert MA, Rouha H, Svergun D, Djinović-Carugo K, Nagy E, Badarau A","journal":"Proc Natl Acad Sci U S A","doi":"10.1073/pnas.1913690116","pmid":"31852826","published_date":"2019 Dec 18"},"status":"released","submitted_date":"2019-03-28","released_date":"2019-12-06"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDF55.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDF55.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF55_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF55_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDF55_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF55_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDF55.sascif","experiment":{"instrument":{"detector":{"type":null,"name":"Pilatus 2M","resolution":null},"name":"PETRA III","city":"DESY; Hamburg","country":"Germany","beamline_name":"EMBL P12","beam_geometry":null,"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":"Leukocidin G","short_name":"LukG","sequence":"KINSEIKQVSEKNLDGDTKMYTRTATTSDSQKNITQSLQFNFLTEPNYDKETVFIKAKGTIGSGLRILDPNGYWN\r\nSTLRWPGSYSVSIQNVDDNNNTNVTDFAPKNQDESREVKYTYGYKTGGDFSINRGGLTGNITKESNYSETISYQQ\r\nPSYRTLLDQSTSHKGVGWKVEAHLINNMGHDHTRQLTNDSDNRTKSEIFSLTRNGNLWAKDNFTPKDKMPVTVSE\r\nGFNPEFLAVMSHDKKDKGKSQFVVHYKRSMDEFKIDWNRHGFWGYWSGENHVDKKEEKLSALYEVDWKTHNVKFV\r\nKVLNDNEKK","organism":"Staphylococcus aureus","uniprot_code":"P21224","uniprot_range_first":30,"uniprot_range_last":338,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":"MIKQLCKNITICTLALSTTFTVLPATSFAKINSEIKQVSEKNLDGDTKMYTRTATTSDSQ\nKNITQSLQFNFLTEPNYDKETVFIKAKGTIGSGLRILDPNGYWNSTLRWPGSYSVSIQNV\nDDNNNTNVTDFAPKNQDESREVKYTYGYKTGGDFSINRGGLTGNITKESNYSETISYQQP\nSYRTLLDQSTSHKGVGWKVEAHLINNMGHDHTRQLTNDSDNRTKSEIFSLTRNGNLWAKD\nNFTPKDKMPVTVSEGFNPEFLAVMSHDKKDKGKSQFVVHYKRSMDEFKIDWNRHGFWGYW\nSGENHVDKKEEKLSALYEVDWKTHNVKFVKVLNDNEKK","mw":35.573,"total_mw":35.573,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null},{"long_name":"Leukocidin H","short_name":"LukH","sequence":"NSAHKDSQDQNKKEHVDKSQQKDKRNVTNKDKNSTAPDDIGKNGKITKRTETVYDEKTNILQNLQFDFIDDPTYD\r\nKNVLLVKKQGSIHSNLKFESHKEEKNSNWLKYPSEYHVDFQVKRNRKTEILDQLPKNKISTAKVDSTFSYSSGGK\r\nFDSTKGIGRTSSNSYSKTISYNQQNYDTIASGKNNNWHVHWSVIANDLKYGGEVKNRNDELLFYRNTRIATVENP\r\nELSFASKYRYPALVRSGFNPEFLTYLSNEKSNEKTQFEVTYTRNQDILKNRPGIHYAPPILEKNKDGQRLIVTYE\r\nVDWKNKTVKVVDKYSDDNKPYKEG","organism":"Staphylococcus 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antibody","short_name":"Fab","sequence":"ELQLQESGPGLVKPSETLSLTCTVSGGSISSGSYYWDWIRQPPGKGLEWIGNIYKSGSTYYNPSLKSRVTISVDT\r\nSKNQFSLKLSSVTAADTAVYYCARERGMHYMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKD\r\nYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKT\r\nHT\r\nDIQMTQSPSSLSASVGDRVTITCRASQSINSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTI\r\nSSLQPEDFATYYCQQQFDPPFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKV\r\nDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC","organism":"Homo sapiens","uniprot_code":null,"uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":null,"mw":47.441,"total_mw":47.441,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"20 mM Hepes, 300 mM NaCl, 1 mM MgCl2","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.5,"deuteration":null},"purity_method":null,"name":"Leukocidin (LukGH) from Staphylococcus aureus in complex with a neutralizing antibody","ext_coefficient":null,"contrast":null,"specific_vol":null,"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":"Melissa ","contributor_surname":"Graewert","orcid":null}],"concentration_method":null,"concentration_unit":null,"date":"2017-09-17","storage_temperature":15.0,"cell_temperature":10.0,"exposure_time":0.045,"number_of_frames":20,"wavelength":0.12,"sample_detector_distance":3.1,"concentration_min":0.4,"concentration_max":4.6,"sample_volume":null,"flow_rate":null,"s_min":0.047,"s_max":3.774,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDF55_fit1_model1_img.png","software":"PDB (Protein Data Bank)","pdb_link":[{"pdb_code":"5k59","ext_code":"5K59","ext_type":"pdb","difference_with_model":"derived"}],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDF55_fit1_model1.pdb","model_mw":101.4,"bead_radius":null,"log":null,"symmetry":"p1","comment":null,"user":14}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDF55_fit1_fixed_fit_img.png","software":"CRYSOL","chi_square_value":1.857,"p_value":0.0,"fit_residual_plot":"SASDF55_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDF55_fit1.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/LuGHFAB1_min04.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 LukGH from Staphylococcus aureus bound to a neutralizing antibody in 20 mM HEPES, 300 mM NaCl, 1 mM MgCl2, pH 7.5 were collected on the EMBL P12 beam line at PETRA III (Hamburg, Germany) using a Pilatus 2M detector at a sample-detector distance of 3.1 m and at a wavelength of λ = 0.12 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Solute concentrations ranging between 0.4 and 4.6 mg/ml were measured at 10°C. 20 successive 0.045 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted. The low angle data collected at lower concentration were merged with the highest concentration high angle data to yield the final composite scattering curve.","tags":[],"intensity_unit":null,"experimental_mw":124.0,"experimental_mw_error":null,"guinier_i0_mw":90.0,"guinier_i0_mw_error":15.0,"porod_mw":95.0,"porod_mw_error":null,"pddf_i0":5749.0,"pddf_i0_error":null,"guinier_i0":5745.48,"guinier_i0_error":16.43,"pddf_rg":4.86,"pddf_rg_error":null,"guinier_rg":4.73,"guinier_rg_error":0.12,"pddf_dmax":16.0,"pddf_dmax_error":null,"porod_volume":152.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":9,"guinier_point_last":104,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDF55_datloglog_img.png","symmetry":null,"last_modified":"2023-06-21T07:56:39.492710+02:00","bragg_peak":[]}