{"code":"SASDG44","status":"Published","type_of_curve":"SEC-SAS","angular_unit":"1/A","project":{"title":"Intermediate-resolution crystal structure of the human adenovirus B serotype 3 fibre knob in complex with the EC2-EC3 fragment of desmoglein 2.","publication":{"title":"Intermediate-resolution crystal structure of the human adenovirus B serotype 3 fibre knob in complex with the EC2-EC3 fragment of desmoglein 2.","author_list":"Vassal-Stermann E, Hutin S, Fender P, Burmeister WP","journal":"Acta Crystallogr F Struct Biol Commun","doi":"10.1107/S2053230X19015784","pmid":"31797817","published_date":"2019 Dec 1"},"status":"released","submitted_date":"2019-08-13","released_date":"2019-12-03"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDG44.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDG44.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDG44_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDG44_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDG44_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDG44_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDG44.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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Tris-HCl, 150 mM NaCl, 3 mM CaCl2","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":8.0,"deuteration":null},"purity_method":null,"name":"Adenovirus Ad3 fibre knob in complex with the EC2-EC3 fragment of desmoglein 2","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":"IBS","address":"Grenoble, France","full_name":"Institut de Biologie Structurale","webpage":""}],"contributor_name":"Wim","contributor_surname":"Burmeister","orcid":null}],"concentration_method":null,"concentration_unit":null,"date":"2017-01-26","storage_temperature":293.0,"cell_temperature":293.0,"exposure_time":1.0,"number_of_frames":2000,"wavelength":0.099,"sample_detector_distance":2.864,"concentration_min":null,"concentration_max":2.4,"sample_volume":100.0,"flow_rate":0.1,"s_min":0.141,"s_max":2.005,"total_exposure_time":null,"seccolumn":14},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDG44_fit1_model1_img.png","software":"Other","pdb_link":[{"pdb_code":"6sit","ext_code":"6SIT","ext_type":"pdb","difference_with_model":"identical"}],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDG44_fit1_model1.pdb","model_mw":90.53,"bead_radius":null,"log":null,"symmetry":"3-fold","comment":"3:1 complex built from asymmetric unit structure. HAd3K has 3-fold symmetry, EC2-EC3 has not.","user":226}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDG44_fit1_fixed_fit_img.png","software":"CRYSOL","chi_square_value":0.795,"p_value":0.0,"fit_residual_plot":"SASDG44_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDG44_fit1.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/complex3-100.log","software_version":"7.1","description":"3:1 complex present in 40 % of the particles"},{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDG44_fit2_model1_img.png","software":"Other","pdb_link":[{"pdb_code":"6sit","ext_code":"6SIT","ext_type":"pdb","difference_with_model":"identical"}],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDG44_fit2_model1.pdb","model_mw":117.3,"bead_radius":null,"log":null,"symmetry":"3-fold","comment":"3:2 complex built from asymmetric unit structure. HAd3K has 3-fold symmetry, EC2-EC3 has not.","user":226}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDG44_fit2_fixed_fit_img.png","software":"CRYSOL","chi_square_value":0.514,"p_value":0.0,"fit_residual_plot":"SASDG44_fit2_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDG44_fit2.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/complex3-200.log","software_version":"7.1","description":"Fit with the £:2 complex structure, present in 40 % of the particles."},{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDG44_fit3_model1_img.png","software":"Other","pdb_link":[{"pdb_code":"6sit","ext_code":"6SIT","ext_type":"pdb","difference_with_model":"identical"}],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDG44_fit3_model1.pdb","model_mw":90.53,"bead_radius":null,"log":null,"symmetry":"3-fold","comment":"3:1 complex built from asymmetric unit structure. HAd3K has 3-fold symmetry, EC2-EC3 has not.","user":226},{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDG44_fit3_model2_img.png","software":"Other","pdb_link":[{"pdb_code":"6sit","ext_code":"6SIT","ext_type":"pdb","difference_with_model":"identical"}],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDG44_fit3_model2.pdb","model_mw":117.3,"bead_radius":null,"log":null,"symmetry":"3-fold","comment":"3:1 complex built from asymmetric unit structure. HAd3K has 3-fold symmetry, EC2-EC3 has not.","user":226}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDG44_fit3_fixed_fit_img.png","software":"OLIGOMER","chi_square_value":0.4,"p_value":1e-06,"fit_residual_plot":"SASDG44_fit3_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDG44_fit3.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/oligomer_MG0kL7h.log","software_version":"7.1","description":"Combination of  40  % 3:1 and 60 % 3:2 complexes (by number)."}],"estimated_volume_method":null,"pddf_software":"ATSAS GNOM","pddf_software_version":"5.0","i0_calibration_standard":null,"description":"Three different stoichiometries are possible for the Had3K: human desmoglein 2 EC2-EC3 complex : 3:1, 3:2 and 3:3. The SAXS experiment is used in order to determine the possible stoichiometries in solution.","experiment_description":"Synchrotron SAXS data from solutions of adenovirus Ad3 fibre knob in complex with the EC2-EC3 fragment of desmoglein 2 in 20 mM Tris-HCl, 150 mM NaCl, 3 mM CaCl2, pH 8 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Pilatus 1M detector at a sample-detector distance of 2.9 m and at a wavelength of λ = 0.099 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). In-line size-exclusion chromatography (SEC) SAS was employed. The SEC parameters were as follows: A 100.00 μl sample at 2.4 mg/ml was injected at a 0.10 ml/min flow rate onto a GE Superdex 200 Increase 3.2/300 column at 293°C. 2000 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":119.0,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":114.0,"porod_mw_error":null,"pddf_i0":258.3,"pddf_i0_error":null,"guinier_i0":255.03,"guinier_i0_error":0.61,"pddf_rg":3.5,"pddf_rg_error":null,"guinier_rg":3.42,"guinier_rg_error":0.1,"pddf_dmax":11.17,"pddf_dmax_error":null,"porod_volume":188.0,"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":"SASDG44_datloglog_img.png","symmetry":null,"last_modified":"2019-12-06T13:07:15.624532+01:00","bragg_peak":[]}