{"code":"SASDE88","status":"Published","type_of_curve":"SEC-SAS","angular_unit":"1/A","project":{"title":"Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.","publication":{"title":"Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.","author_list":"Tosi T, Hoshiga F, Millership C, Singh R, Eldrid C, Patin D, Mengin-Lecreulx D, Thalassinos K, Freemont P, Gründling A","journal":"PLoS Pathog","doi":"10.1371/journal.ppat.1007537","pmid":"30668586","published_date":"2019 Jan 22"},"status":"released","submitted_date":"2018-11-17","released_date":"2019-01-28"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDE88.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDE88.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE88_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE88_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDE88_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE88_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDE88.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 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aureus","uniprot_code":"Q2FEX1","uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"dimer","molecular_type":"protein","uniprot_sequence":"MGKYFGTDGVRGVANQELTPELAFKLGRYGGYVLAHNKGEKHPRVLVGRDTRVSGEMLES\nALIAGLISIGAEVMRLGIISTPGVAYLTRDMGAELGVMISASHNPVADNGIKFFGSDGFK\nLSDEQENEIEALLDQENPELPRPVGNDIVHYSDYFEGAQKYLSYLKSTVDVNFEGLKIAL\nDGANGSTSSLAPFLFGDLEADTETIGCSPDGYNINEKCGSTHPEKLAEKVVETESDFGLA\nFDGDGDRIIAVDENGQIVDGDQIMFIIGQEMHKNQELNNDMIVSTVMSNLGFYKALEQEG\nIKSNKTKVGDRYVVEEMRRGNYNLGGEQSGHIVMMDYNTTGDGLLTGIQLASVIKMTGKS\nLSELAGQMKKYPQSLINVRVTDKYRVEENVDVKEVMTKVEVEMNGEGRILVRPSGTEPLV\nRVMVEAATDEDAERFAQQIADVVQDKMGLDK","mw":49.731,"total_mw":99.462,"number_molecules":2,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"30 mM Tris, 150 mM NaCl","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.5,"deuteration":null},"purity_method":null,"name":"Solution structure of phosphoglucosamine mutase (GlmM) from Staphylococcus aureus","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"London, UK","full_name":"Imperial College London","webpage":"https://www.imperial.ac.uk/"}],"contributor_name":"Tommaso","contributor_surname":"Tosi","orcid":"https://orcid.org/0000-0002-4564-7807"}],"concentration_method":null,"concentration_unit":null,"date":"2018-05-07","storage_temperature":20.0,"cell_temperature":20.0,"exposure_time":3.0,"number_of_frames":null,"wavelength":0.1,"sample_detector_distance":4.014,"concentration_min":null,"concentration_max":null,"sample_volume":null,"flow_rate":null,"s_min":0.079,"s_max":3.144,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDE88_fit1_model1_img.png","software":"DAMFILT","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"5.0","model_data":"https://www.sasbdb.org/media/pdb_file/SASDE88_fit1_model1.pdb","model_mw":85.402,"bead_radius":3.25,"log":"https://www.sasbdb.org/media/log_files/damsel_40OBGnP.log","symmetry":null,"comment":null,"user":391}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/run_3_OmnuBRr_fit_img.png","software":"DAMMIF","chi_square_value":1.218,"p_value":0.363345,"fit_residual_plot":"run_3_OmnuBRr_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDE88_fit1.fir","fit_log":null,"software_version":"5.0","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 GlmM in 30 mM Tris, 150 mM NaCl, pH 7.5 were collected 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-to-detector distance of 4.014 m and X-ray wavelength of λ = 0.1 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). SEC-SAXS was performed at 20°C using the following parameters: Column: Superdex 200 5/150 (GE Healthcare); Flow rate: 0.075 mL/min; Sample injection concentration: 12.0 mg/mL; Injection volume: 45 μL. The data obtained through the sample elution peak (collected as consecutive 3 s exposures) 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":"arbitrary","experimental_mw":94.2,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":84.0,"porod_mw_error":null,"pddf_i0":0.1142,"pddf_i0_error":null,"guinier_i0":0.1137,"guinier_i0_error":0.001,"pddf_rg":3.77,"pddf_rg_error":null,"guinier_rg":3.68,"guinier_rg_error":0.01,"pddf_dmax":12.46,"pddf_dmax_error":null,"porod_volume":134.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":2,"guinier_point_last":115,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDE88_datloglog_img.png","symmetry":null,"last_modified":"2019-12-06T13:07:15.624532+01:00","bragg_peak":[]}