{"code":"SASDEM3","status":"Published","type_of_curve":"Merged","angular_unit":"1/nm","project":{"title":"The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.","publication":{"title":"The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.","author_list":"Lund BA, Thomassen AM, Nesheim BHB, Carlsen TJO, Isaksson J, Christopeit T, Leiros HS","journal":"FEBS J","doi":"10.1111/febs.14643","pmid":"30153368","published_date":"2018 Aug 28"},"status":"released","submitted_date":"2018-08-30","released_date":"2018-08-31"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDEM3.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDEM3.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEM3_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEM3_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDEM3_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEM3_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDEM3.sascif","experiment":{"instrument":{"detector":{"type":"Dectris","name":"Pilatus 1M","resolution":172.0},"name":"ESRF","city":"Grenoble","country":"France","beamline_name":"BM29","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":"Beta-lactamase","short_name":"OXA-48","sequence":"AKEWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALD\r\nLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAF\r\nDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGD\r\nYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEK\r\nIIP","organism":"Klebsiella pneumoniae","uniprot_code":"Q6XEC0","uniprot_range_first":22,"uniprot_range_last":265,"oligomerization":"dimer","molecular_type":"protein","uniprot_sequence":"MRVLALSAVFLVASIIGMPAVAKEWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLK\nRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVV\nPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNK\nLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMD\nMPTSDGLGLRQAITKEVLKQEKIIP","mw":28.218,"total_mw":56.436,"number_molecules":2,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"50 mM HEPES 50 mM K2SO4","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.0,"deuteration":null},"purity_method":null,"name":"Dimeric class D beta-lactamase OXA-48","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":"UiT","address":"Tromso, Norway","full_name":"UiT - The Arctic University of Norway","webpage":"https://en.uit.no/"}],"contributor_name":"Bjarte Aarmo","contributor_surname":"Lund","orcid":null}],"concentration_method":null,"concentration_unit":null,"date":"2017-02-23","storage_temperature":25.0,"cell_temperature":25.0,"exposure_time":10.0,"number_of_frames":10,"wavelength":0.09919,"sample_detector_distance":2.867,"concentration_min":0.1,"concentration_max":13.0,"sample_volume":null,"flow_rate":null,"s_min":0.079,"s_max":4.899,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDEM3_fit1_model1_img.png","software":"PDB (Protein Data Bank)","pdb_link":[{"pdb_code":"5dtk","ext_code":"5DTK","ext_type":"pdb","difference_with_model":"derived"}],"model_title":null,"type_of_model":"atomic","software_version":"","model_data":"https://www.sasbdb.org/media/pdb_file/SASDEM3_fit1_model1.pdb","model_mw":57.14,"bead_radius":1.9,"log":null,"symmetry":"","comment":"chains A and D","user":230}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/5dtk-A-D00_fit_img.png","software":"CRYSOL","chi_square_value":5.025,"p_value":0.0,"fit_residual_plot":"5dtk-A-D00_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDEM3_fit1.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/5dtk-A-D00.log","software_version":"28","description":null}],"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 dimeric class D beta-lactamase (OXA-48) in 50 mM HEPES, 50 mM K2SO4, pH 7, were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Dectris Pilatus 1M detector at a sample-detector distance of 2.9 m and at a wavelength of λ = 0.09919 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Solute concentrations ranging between 0.1 and 13 mg/ml were measured at 25°C. 10 successive 10 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(s) were merged with the higher concentration high angle data to yield the final composite scattering curve.","tags":[],"intensity_unit":"arbitrary","experimental_mw":50.0,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":46.0,"porod_mw_error":null,"pddf_i0":26.79,"pddf_i0_error":null,"guinier_i0":27.04,"guinier_i0_error":0.052,"pddf_rg":2.476,"pddf_rg_error":null,"guinier_rg":2.47,"guinier_rg_error":0.018,"pddf_dmax":7.35,"pddf_dmax_error":null,"porod_volume":74.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":2,"guinier_point_last":96,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDEM3_datloglog_img.png","symmetry":null,"last_modified":"2019-12-06T13:07:15.624532+01:00","bragg_peak":[]}