{"code":"SASDDX9","status":"Published","type_of_curve":"Merged","angular_unit":"1/A","project":{"title":"mPAC Delta132","publication":null,"status":"released","submitted_date":"2018-07-25","released_date":"2021-09-20"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDDX9.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDDX9.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDX9_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDX9_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDDX9_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDX9_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDDX9.sascif","experiment":{"instrument":{"detector":{"type":null,"name":"Pilatus 2M","resolution":null},"name":"Swiss Light Source","city":"Villigen","country":"Switzerland","beamline_name":"cSAXS","beam_geometry":null,"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":"PAS fold family","short_name":"mPAC","sequence":"GAMGSQAYRKGVQETVKLRDQAIAASSVGIVIADARLPDMPLIYVNPAFEEITGYSDAEVLGYNCRFLQGKDTSQPAVDQLRAAIKAGENCTVTLLNYRKDGTPFWNELTISPIYDDHNNLTHFVGIQSDISDRIKAEQALRLEQEKSERLLLNILPKPIVDQLKQFEGSLAQQFTEATILFADIVGFTQLSAQMSPLELLNLLNNIFSVFDKLAEKHGIEKIKTIGDAYMAVAGLPVANDHHAEAIANMALDMQQAIQQFKTPQGEPFQIRIGINTGLVVAGVIGIKKFSYDLWGDAVNVASRMESSGLPGKIQVTAATKERLQDKYVFEKRGAIVVKGKGEMINYWLVGKQE","organism":"Coleofasciculus chthonoplastes PCC 7420","uniprot_code":"B4VKN6","uniprot_range_first":133,"uniprot_range_last":483,"oligomerization":"dimer","molecular_type":"protein","uniprot_sequence":"MNPSCEENEPNLFHGEASLQAFFDLSAELLCIRDSNGYFREINSVWEKTLGWTLDELRSR\nPWLEFVHPDDVAFTFDMENQCHTLQDNKTPICLKNRFRCRDGSYRWLSWRLGAYQNSVSH\nGIAHDVTESNWRGSQAYRKGVQETVKLRDQAIAASSVGIVIADARLPDMPLIYVNPAFEE\nITGYSDAEVLGYNCRFLQGKDTSQPAVDQLRAAIKAGENCTVTLLNYRKDGTPFWNELTI\nSPIYDDHNNLTHFVGIQSDISDRIKAEQALRLEQEKSERLLLNILPKPIVDQLKQFEGSL\nAQQFTEATILFADIVGFTQLSAQMSPLELLNLLNNIFSVFDKLAEKHGIEKIKTIGDAYM\nAVAGLPVANDHHAEAIANMALDMQQAIQQFKTPQGEPFQIRIGINTGLVVAGVIGIKKFS\nYDLWGDAVNVASRMESSGLPGKIQVTAATKERLQDKYVFEKRGAIVVKGKGEMINYWLVG\nKQE","mw":39.015,"total_mw":78.03,"number_molecules":2,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"20 mM HEPES, 150 mM NaCl, 5 mM MgCl2, 5 % w/v Glycerol, 1 mM ApCpp","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.5,"deuteration":null},"purity_method":null,"name":"PAS fold family protein mPAC-Δ132 with the addition of adenosine-5'-[(α,β)-methyleno]triphosphate in the dark state (mPAC-Δ132, dark + ApCpp)","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":"Max Planck Institute for Medical Research","webpage":"http://www.mpimf-heidelberg.mpg.de/en"}],"contributor_name":"Robert","contributor_surname":"Lindner","orcid":""}],"concentration_method":null,"concentration_unit":null,"date":"2015-03-11","storage_temperature":0.0,"cell_temperature":10.0,"exposure_time":0.5,"number_of_frames":200,"wavelength":0.11,"sample_detector_distance":2.13,"concentration_min":5.1,"concentration_max":9.1,"sample_volume":null,"flow_rate":null,"s_min":0.16,"s_max":2.744,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDDX9_fit1_model1_img.png","software":"Other","pdb_link":[],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDDX9_fit1_model1.pdb","model_mw":75.06,"bead_radius":null,"log":null,"symmetry":null,"comment":null,"user":330}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDX9_fit1_fitfoxs_img.png","software":"FoXS","chi_square_value":16.481153,"p_value":0.0,"fit_residual_plot":"SASDDX9_fit1_fitfoxsresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDDX9_fit1.dat","fit_log":null,"software_version":"2","description":null},{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDDX9_fit2_model1_img.png","software":"DAMFILT","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"2.8.1","model_data":"https://www.sasbdb.org/media/pdb_file/SASDDX9_fit2_model1.pdb","model_mw":59.655,"bead_radius":3.25,"log":null,"symmetry":null,"comment":null,"user":330},{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDDX9_fit2_model2_img.png","software":"GASBOR","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"2.8.1","model_data":"https://www.sasbdb.org/media/pdb_file/SASDDX9_fit2_model2.pdb","model_mw":null,"bead_radius":1.9,"log":null,"symmetry":null,"comment":null,"user":330}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDX9_fit2_fixed_fit_img.png","software":"GASBOR","chi_square_value":52.36,"p_value":0.0,"fit_residual_plot":"SASDDX9_fit2_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDDX9_fit2.fir","fit_log":null,"software_version":"2.8.1","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 measurements (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle;  λ = 0.11 nm) were carried out at the beam line X12SA of the Swiss Light Source (Paul Scherrer Institut, Villigen, Switzerland). Quartz capillaries (inner diameter 1 mm) were mounted in a sample holder and filled with buffer (20 mM HEPES, 150 mM NaCl, 5 mM MgCl2, 5 % w/v glycerol, 1 mM ApCpp, pH 7.5). The sample holder was cooled to 10 °C for all measurements. Scattering of the buffer was determined at 20 positions along the capillary (spacing 0.5 mm), exposing each position with 11.2 keV photons for 0.5 s using 200 successive frames. Each position was measured 10 times and scattering intensities, after radial averaging to produce 1D-scattering patterns, were averaged. Scattered X-rays were detected by a Pilatus 2M detector (Dectris, Baden-Dättwil, Switzerland) at the end of an evacuated flight tube, 2.13 m from the sample position. Buffer was replaced by the protein sample without moving the sample holder or the capillaries. Lights in the experimental hutch were switched off and after 5 minutes, scattering of the protein-containing solutions was measured at the same positions using the procedure described above. Solute concentrations ranging between 5.1 and 9.1 mg/ml were measured and the concentration series data extrapolated to infinite dilution generating the final SAXS profile displayed in this entry. GASBOR was run 10 times to generate bead-model reconstructions (an averaged representation, top, and individual model, bottom).","tags":[],"intensity_unit":"arbitrary","experimental_mw":83.0,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":null,"porod_mw_error":null,"pddf_i0":7.849,"pddf_i0_error":null,"guinier_i0":8.29,"guinier_i0_error":0.017,"pddf_rg":3.81,"pddf_rg_error":null,"guinier_rg":3.95,"guinier_rg_error":0.19,"pddf_dmax":12.8,"pddf_dmax_error":null,"porod_volume":99.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":12,"guinier_point_last":35,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDDX9_datloglog_img.png","symmetry":null,"last_modified":"2021-09-20T13:38:19.096872+02:00","bragg_peak":[]}