{"code":"SASDDH7","status":"Published","type_of_curve":"Single concentration","angular_unit":"1/nm","project":{"title":"A combination of mutational and computational scanning guides the design of an artificial ligand-binding controlled lipase.","publication":{"title":"A combination of mutational and computational scanning guides the design of an artificial ligand-binding controlled lipase.","author_list":"Kaschner M, Schillinger O, Fettweiss T, Nutschel C, Krause F, Fulton A, Strodel B, Stadler A, Jaeger KE, Krauss U","journal":"Sci Rep","doi":"10.1038/srep42592","pmid":"28218303","published_date":"2017 Feb 20"},"status":"released","submitted_date":"2018-05-17","released_date":"2018-06-05"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDDH7.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDDH7.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDH7_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDH7_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDDH7_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDH7_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDDH7.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 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BsLA","short_name":"CitAP-BsLA","sequence":">CitAP-BsLA\r\nMGSSHHHHHHSSGLVPRGSHMDITEERLHYQVGQRALIQAMQISAMPELVEAVQKRDLARIKALIDPMRSFSDATYITVG\r\nDASGQRLYHVNPDEIGKSMEGGDSDEALINAKSYVSVRKGSLGSSLRGKSPIQDATGKVIGIVSVGYTIEQLENYEKLLE\r\nDSLTEITALSIEGREAEHNPVVMVHGIGGASFNFAGIKSYLVSQGWSRDKLYAVDFWDKTGTNYNNGPVLSRFVQKVLDE\r\nTGAKKVDIVAHSMGGANTLYYIKNLDGGNKVANVVTLGGANRLTTGKALPGTDPNQKILYTSIYSSADMIVMNYLSRLDG\r\nARNVQIHGVGHIGLLYSSQVNSLIKEGLNGGGQNTN","organism":null,"uniprot_code":null,"uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"dimer","molecular_type":"protein","uniprot_sequence":null,"mw":38.495,"total_mw":76.99,"number_molecules":2,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"10 mM glycine buffer, 10 mM NaCl, 1 mM sodium citrate","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":10.0,"deuteration":null},"purity_method":null,"name":"Citrate-binding PAS domain from the sensor histidine kinase, CitA, fused to lipase EstA in the presence of citrate","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Germany","full_name":"Forschungszentrum Jülich","webpage":"https://www.fz-juelich.de"}],"contributor_name":"Andreas","contributor_surname":"Stadler","orcid":null}],"concentration_method":null,"concentration_unit":null,"date":"2014-02-06","storage_temperature":20.0,"cell_temperature":20.0,"exposure_time":1.0,"number_of_frames":10,"wavelength":0.09919,"sample_detector_distance":2.849,"concentration_min":null,"concentration_max":5.01,"sample_volume":null,"flow_rate":null,"s_min":0.036,"s_max":5.012,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDDH7_fit1_model1_img.png","software":"DAMMIF","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"2.5","model_data":"https://www.sasbdb.org/media/pdb_file/SASDDH7_fit1_model1.pdb","model_mw":84.15,"bead_radius":3.0,"log":null,"symmetry":null,"comment":null,"user":317},{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDDH7_fit1_model2_img.png","software":"DAMMIF","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"2.5","model_data":"https://www.sasbdb.org/media/pdb_file/SASDDH7_fit1_model2.pdb","model_mw":84.0,"bead_radius":2.4,"log":null,"symmetry":null,"comment":null,"user":317}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDH7_fit1_fit_img.png","software":"DAMMIF","chi_square_value":1.432809,"p_value":0.0,"fit_residual_plot":"SASDDH7_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDDH7_fit1.fir","fit_log":null,"software_version":null,"description":null},{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDDH7_fit2_model1_copy_img.png","software":"GROMACS","pdb_link":[],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDDH7_fit2_model1_copy.pdb","model_mw":76.72,"bead_radius":null,"log":null,"symmetry":null,"comment":null,"user":317}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDH7_fit2_fit_img.png","software":"CRYSOL","chi_square_value":2.262,"p_value":0.0,"fit_residual_plot":"SASDDH7_fit2_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDDH7_fit2.fit","fit_log":null,"software_version":"2.8.3","description":null}],"estimated_volume_method":null,"pddf_software":"ATSAS GNOM","pddf_software_version":"5.0","i0_calibration_standard":null,"description":"The protein is a fusion of: i) CitAP - the PAS domain from Sensor histidine kinase, CitA, from Klebsiella pneumoniae; UniProt: P52687 (Amino acid range 45-177); ii) BsLA - the Lipase EstA from Bacillus subtilis 168; UniProt: I6V559 (Amino acid range 32-212) and; iii) A linker connecting CitAP with EstA - derived from the blue light photoreceptor, YtvA, from Bacillus subtilis 168; UniProt: O34627 (Amino acid range 132-147).","experiment_description":"Synchrotron SAXS data from solutions of the citrate-binding PAS domain from the sensor histidine kinase, CitA, fused to lipase EstA in 10 mM glycine buffer, 10 mM NaCl, 1 mM sodium citrate, pH 10 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 (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 5.01 mg/ml was measured at 20°C. 10 successive 1 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":80.16,"experimental_mw_error":null,"guinier_i0_mw":80.16,"guinier_i0_mw_error":0.04,"porod_mw":null,"porod_mw_error":null,"pddf_i0":80.62,"pddf_i0_error":null,"guinier_i0":80.16,"guinier_i0_error":0.04,"pddf_rg":3.378,"pddf_rg_error":null,"guinier_rg":3.3,"guinier_rg_error":0.01,"pddf_dmax":11.74,"pddf_dmax_error":null,"porod_volume":null,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":11,"guinier_point_last":75,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDDH7_datloglog_img.png","symmetry":null,"last_modified":"2019-12-06T13:07:15.624532+01:00","bragg_peak":[]}