{"code":"SASDVM5","status":"Published","type_of_curve":"Merged","angular_unit":"1/A","project":{"title":"Binding structures of SERF1a with NT17-polyQ peptides of huntingtin exon 1 revealed by SEC-SWAXS, NMR and molecular simulation.","publication":{"title":"Binding structures of SERF1a with NT17-polyQ peptides of huntingtin exon 1 revealed by SEC-SWAXS, NMR and molecular simulation.","author_list":"Lin TC, Shih O, Tsai TY, Yeh YQ, Liao KF, Mansel BW, Shiu YJ, Chang CF, Su AC, Chen YR, Jeng US","journal":"IUCrJ","doi":"10.1107/S2052252524006341","pmid":"39120045","published_date":"2024 Sep 1"},"status":"released","submitted_date":"2024-08-01","released_date":"2024-08-07"},"pddf_data":null,"intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDVM5.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVM5_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVM5_kratky_img.png","pddf_plot":null,"intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVM5_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDVM5.sascif","experiment":{"instrument":{"detector":{"type":null,"name":"Eiger X 1M & 9M","resolution":0.001},"name":"NSRRC","city":"Hsinchu","country":"Taiwan","beamline_name":"TPS13A","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":"HTT3","short_name":null,"sequence":"MATPEKPMKAFESPKSFPQQPQQQPQQPQQQYK","organism":"synthetic construct","uniprot_code":null,"uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":"","mw":3.887,"total_mw":3.887,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":""}],"buffer":{"name":"Sodium phosphate buffer","concentration_unit":null,"comment":"(PB) solution (containing 480 μL of 10 mM PB, pH 7.4, 16.5 μL of 100 mM NaOH, and 10 μL of 1% TFA)","additive":null,"concentration":null,"pka":null,"ph":7.4,"deuteration":null},"purity_method":null,"name":"HTT-3 peptide","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Hsinchu City, Taiwan","full_name":"National Synchrotron Radiation Research Center","webpage":"https://www.nsrrc.org.tw/"}],"contributor_name":"Orion","contributor_surname":"Shih","orcid":null}],"concentration_method":null,"concentration_unit":null,"date":"2021-05-20","storage_temperature":10.0,"cell_temperature":10.0,"exposure_time":2.0,"number_of_frames":5,"wavelength":0.08265,"sample_detector_distance":2.5,"concentration_min":1.0,"concentration_max":5.0,"sample_volume":null,"flow_rate":null,"s_min":0.145,"s_max":10.021,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDVM5_fit1_model1_img.png","software":"Rosetta","pdb_link":[],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDVM5_fit1_model1.pdb","model_mw":3.937,"bead_radius":null,"log":null,"symmetry":null,"comment":null,"user":216}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDVM5_fit1_fixed_fit_img.png","software":"CRYSOL","chi_square_value":318.0464,"p_value":0.0,"fit_residual_plot":"SASDVM5_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDVM5_fit1.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/2a.log","software_version":"3.2.1","description":""}],"estimated_volume_method":null,"pddf_software":"ATSAS GNOM","pddf_software_version":null,"i0_calibration_standard":null,"description":"The sodium phosphate buffer solution contains 480 μL of 10 mM PB, pH 7.4, 16.5 μL of 100 mM NaOH, and 10 μL of 1% trifluoroacetic acid (TFA). CAUTION: Molecular weight estimates, Porod volume and Dmax cannot be extracted/validated from the SAXS data.","experiment_description":"Synchrotron SAXS data from solutions of HTT-3 peptide in sodium phosphate buffer, pH 7.4 were collected on the TPS13A beam line at the NSRRC (Hsinchu, Taiwan) using a Eiger X 1M & 9M detector at a sample-detector distance of 2.5 m and at a wavelength of λ = 0.08265 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Solute concentrations ranging between 1 and 5 mg/ml were measured at 10°C. Five 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. The low angle data collected at lower concentration were merged with the highest concentration high angle data to yield the final composite scattering curve.","tags":[],"intensity_unit":"1/cm","experimental_mw":2.16,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":null,"porod_mw_error":null,"pddf_i0":null,"pddf_i0_error":null,"guinier_i0":0.0032229,"guinier_i0_error":null,"pddf_rg":null,"pddf_rg_error":null,"guinier_rg":1.962,"guinier_rg_error":0.01,"pddf_dmax":null,"pddf_dmax_error":null,"porod_volume":null,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":7,"guinier_point_last":55,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDVM5_datloglog_img.png","symmetry":null,"last_modified":"2024-08-18T16:49:40.382273+02:00","bragg_peak":[]}