{"code":"SASDDW5","status":"Published","type_of_curve":"SEC-SAS","angular_unit":"1/A","project":{"title":"Substrate Locking Promotes Dimer-Dimer Docking of an Enzyme Antibiotic Target.","publication":{"title":"Substrate Locking Promotes Dimer-Dimer Docking of an Enzyme Antibiotic Target.","author_list":"Atkinson SC, Dogovski C, Wood K, Griffin MDW, Gorman MA, Hor L, Reboul CF, Buckle AM, Wuttke J, Parker MW, Dobson RCJ, Perugini MA","journal":"Structure","doi":"10.1016/j.str.2018.04.014","pmid":"29804823","published_date":"2018 Jul 3"},"status":"released","submitted_date":"2018-04-09","released_date":"2018-05-29"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDDW5.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDDW5.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDW5_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDW5_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDDW5_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDW5_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDDW5.sascif","experiment":{"instrument":{"detector":{"type":"Dectris","name":"Pilatus 1M","resolution":172.0},"name":"Australian  Synchrotron","city":"Melbourne","country":"Australia","beamline_name":"SAXS/WAXS","beam_geometry":"Point","type_of_source":"X-ray synchrotron","point_source":true,"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":"4-hydroxy-tetrahydrodipicolinate synthase from Clostridium botulinum","short_name":"Cbot-DHDPS","sequence":"SIFKGSGVAIITPFTNTGVDFDKLSELIEWHIKSKTDAIIVCGTTGEATTMTETERKET\r\nIKFVIDKVNKRIPVIAGTGSNNTAASIAMSKWAESIGVDGLLVITPYYNKTTQKGLVKHF\r\nKAVSDAVSTPIIIYNVPGRTGLNITPGTLKELCEDKNIVAVKEASGNISQIAQIKALCGD\r\nKLDIYSGNDDQIIPILALGGIGVISVLANVIPEDVHNMCELYLNGKVNEALKIQLDSLAL\r\nTNALFIETNPIPVKTAMNLMNMKVGDLRLPLCEMNENNLEILKKELKAYNLM","organism":"Clostridium botulinum","uniprot_code":"A5I6N2","uniprot_range_first":2,"uniprot_range_last":292,"oligomerization":"tetramer","molecular_type":"protein","uniprot_sequence":"MSIFKGSGVAIITPFTNTGVDFDKLSELIEWHIKSKTDAIIVCGTTGEATTMTETERKET\nIKFVIDKVNKRIPVIAGTGSNNTAASIAMSKWAESIGVDGLLVITPYYNKTTQKGLVKHF\nKAVSDAVSTPIIIYNVPGRTGLNITPGTLKELCEDKNIVAVKEASGNISQIAQIKALCGD\nKLDIYSGNDDQIIPILALGGIGVISVLANVIPEDVHNMCELYLNGKVNEALKIQLDSLAL\nTNALFIETNPIPVKTAMNLMNMKVGDLRLPLCEMNENNLEILKKELKAYNLM","mw":31.519,"total_mw":126.076,"number_molecules":4,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"20mM Tris, 150mM NaCl, 5mM sodium pyruvate","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":8.0,"deuteration":null},"purity_method":null,"name":"4-hydroxy-tetrahydrodipicolinate synthase (DHDPS-apo) from C. botulinum + pyruvate","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Melbourne, Australia","full_name":"Monash University","webpage":"http://www.monash.edu/"}],"contributor_name":"Sarah","contributor_surname":"Atkinson","orcid":null}],"concentration_method":null,"concentration_unit":null,"date":"2010-11-26","storage_temperature":4.0,"cell_temperature":25.0,"exposure_time":5.0,"number_of_frames":8,"wavelength":0.10322,"sample_detector_distance":0.9,"concentration_min":null,"concentration_max":9.5,"sample_volume":null,"flow_rate":null,"s_min":0.17,"s_max":3.598,"total_exposure_time":null,"seccolumn":null},"fits":[],"estimated_volume_method":null,"pddf_software":"ATSAS GNOM","pddf_software_version":"4.5a","i0_calibration_standard":null,"description":null,"experiment_description":"Synchrotron SAXS data from solutions of 4-hydroxy-tetrahydrodipicolinate synthase (DHDPS-apo) from C. botulinum in 20mM Tris, 150mM NaCl, 5mM sodium pyruvate, pH 8, were collected on the SAXS/WAXS beam line at the Australian Synchrotron (Melbourne, Australia) using a Pilatus 1M detector at a sample-detector distance of 0.9 m and at a wavelength of λ = 0.10322 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). The protein sample analyzed was subjected to in-line size exclusion chromatography on a Superdex 200 5/150 GL gel-filtration column (GE Healthcare) with a bed volume of 3 ml equilibrated with buffer at a flow rate of 0.2 ml.min-1. 50 µL Cbot-DHDPS at 300 µM was injected and the fractionated sample flowed through a 1.5 mm quartz capillary where it was exposed to the X-ray beam at 25°C. Eight successive 5 second frames were collected through the SEC-elution profile. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of an appropriate SEC solvent-blank was subtracted.","tags":[],"intensity_unit":null,"experimental_mw":125.0,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":null,"porod_mw_error":null,"pddf_i0":0.07092,"pddf_i0_error":null,"guinier_i0":0.072,"guinier_i0_error":9.9e-05,"pddf_rg":3.17,"pddf_rg_error":null,"guinier_rg":3.26,"guinier_rg_error":0.01,"pddf_dmax":8.93,"pddf_dmax_error":null,"porod_volume":165.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":1,"guinier_point_last":35,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDDW5_datloglog_img.png","symmetry":null,"last_modified":"2019-12-06T13:07:15.624532+01:00","bragg_peak":[]}