{"code":"SASDFE8","status":"Published","type_of_curve":"Single concentration","angular_unit":"1/nm","project":{"title":"Structure-based screening of binding affinities via small-angle X-ray scattering","publication":{"title":"Structure-based screening of binding affinities via small-angle X-ray scattering","author_list":"Chen P, Masiewicz P, Perez K, Hennig J","journal":null,"doi":"10.1101/715193","pmid":null,"published_date":"2019 Jul 31"},"status":"released","submitted_date":"2019-07-01","released_date":"2019-08-02"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDFE8.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDFE8.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFE8_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFE8_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDFE8_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFE8_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDFE8.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":"Histidine-binding periplasmic protein","short_name":"HisBP","sequence":"GAIPQNIRIGTDPTYAPFESKNSQGELVGFDIDLAKELCKRINTQCTFVENPLDALIPSLK\r\nAKKIDAIMSSLSITEKRQQEIAFTDKLYAADSRLVVAKNSDIQPTVESLKGKRVGVLQGT\r\nTQETFGNEHWAPKGIEIVSYQGQDNIYSDLTAGRIDAAFQDEVAASEGFLKQPVGKDYKF\r\nGGPSVKDEKLFGVGTGMGLRKEDNELREALNKAFAEMRADGTYEKLAKKYFDFDVYGG","organism":"Escherichia coli","uniprot_code":"P0AEU0","uniprot_range_first":23,"uniprot_range_last":260,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":"MKKLVLSLSLVLAFSSATAAFAAIPQNIRIGTDPTYAPFESKNSQGELVGFDIDLAKELC\nKRINTQCTFVENPLDALIPSLKAKKIDAIMSSLSITEKRQQEIAFTDKLYAADSRLVVAK\nNSDIQPTVESLKGKRVGVLQGTTQETFGNEHWAPKGIEIVSYQGQDNIYSDLTAGRIDAA\nFQDEVAASEGFLKQPVGKDYKFGGPSVKDEKLFGVGTGMGLRKEDNELREALNKAFAEMR\nADGTYEKLAKKYFDFDVYGG","mw":26.289,"total_mw":26.289,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"100 mM NaCl, 20 mM NaPO4, 0.5 mM TCEP","concentration_unit":null,"comment":"SEC buffer for PBP experiments","additive":null,"concentration":null,"pka":null,"ph":7.4,"deuteration":null},"purity_method":null,"name":"Histidine-binding periplasmic protein (HisBP) in the presence of histidine - His-bound 5-fold excess","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":"EMBL","address":"Heidelberg, Germany","full_name":"European Molecular Biology Laboratory (EMBL) - Heidelberg","webpage":"https://www.embl.de/"}],"contributor_name":"Po-chia","contributor_surname":"Chen","orcid":null}],"concentration_method":null,"concentration_unit":null,"date":"2018-09-10","storage_temperature":null,"cell_temperature":20.0,"exposure_time":2.0,"number_of_frames":12,"wavelength":0.09919,"sample_detector_distance":2.849,"concentration_min":null,"concentration_max":4.2,"sample_volume":null,"flow_rate":null,"s_min":0.031,"s_max":4.946,"total_exposure_time":null,"seccolumn":null},"fits":[],"estimated_volume_method":null,"pddf_software":"ATSAS GNOM","pddf_software_version":"5.0","i0_calibration_standard":null,"description":"His-bound HisBP at a ligand:protein ratio of 5:1. Ligand condition is prepared by dissolving histidine in powder form (Sigma-Aldrich) directly into the SAXS buffer, followed by dilution to the target concentration with additional SAXS buffer.","experiment_description":"Synchrotron SAXS data from solutions of HisBP with a 5-fold excess of histidine in 100 mM NaCl, 20 mM NaPO4, 0.5 mM TCEP, pH 7.4 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Pilatus 1M detector at a sample-detector distance of 2.8 m and at a wavelength of λ = 0.09919 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 4.20 mg/ml was measured at 20°C. 12 successive 2 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.","tags":[],"intensity_unit":"arbitrary","experimental_mw":30.0,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":21.0,"porod_mw_error":null,"pddf_i0":128.8,"pddf_i0_error":null,"guinier_i0":128.71,"guinier_i0_error":0.1,"pddf_rg":1.833,"pddf_rg_error":null,"guinier_rg":1.83,"guinier_rg_error":0.0,"pddf_dmax":5.71,"pddf_dmax_error":null,"porod_volume":33.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":12,"guinier_point_last":144,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDFE8_datloglog_img.png","symmetry":null,"last_modified":"2019-12-06T13:07:15.624532+01:00","bragg_peak":[]}