{"code":"SASDFW7","status":"Published","type_of_curve":"SEC-SAS","angular_unit":"1/A","project":{"title":"The Methionine-Rich Loop of Multicopper Oxidase McoA follows Open-To-Close Transitions with a Role in Enzyme Catalysis","publication":{"title":"The Methionine-Rich Loop of Multicopper Oxidase McoA follows Open-To-Close Transitions with a Role in Enzyme Catalysis","author_list":"Borges P, Brissos V, Hernandez G, Masgrau L, Lucas M, Monza E, Frazão C, Cordeiro T, Martins L","journal":"ACS Catalysis","doi":"10.1021/acscatal.0c01623","pmid":null,"published_date":"2020 Jun 02"},"status":"released","submitted_date":"2019-06-18","released_date":"2020-06-09"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDFW7.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDFW7.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFW7_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFW7_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDFW7_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFW7_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDFW7.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":"Aquifex aeolicus McoA metaloxidase ∆328-352  (MCoA∆328-352)","short_name":"MCoA∆328-352","sequence":">MCoA∆328-352\r\nMLSKQSLNIPGYFLFPDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQTFS\r\nADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHPHGRT\r\nGYQVYYGLAGMIIIEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMGHMGFWG\r\nDTILVNLTPNPYMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEV\r\nNEILVAPGERIDILVDFRDASVNDVIKLYNFPHNLIGMMGMADNSEFEVMEFRVTKDSAYDK\r\nSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYANPQDINNPKVLFEQNNGDV\r\nVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRATDLGWKDTVIVAPMETVRIAVDMSHPYN\r\nEHQIYLLHCHILEHHDEGMMVNYRVNA","organism":"Aquifex 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Lisboa","webpage":"http://www.itqb.unl.pt"}],"contributor_name":"Tiago","contributor_surname":"Cordeiro","orcid":"https://orcid.org/0000-0003-2663-3220"}],"concentration_method":null,"concentration_unit":null,"date":"2017-07-13","storage_temperature":20.0,"cell_temperature":20.0,"exposure_time":1.0,"number_of_frames":3000,"wavelength":0.09919,"sample_detector_distance":2.867,"concentration_min":null,"concentration_max":12.0,"sample_volume":45.0,"flow_rate":0.1,"s_min":0.039,"s_max":4.924,"total_exposure_time":null,"seccolumn":14},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDFW7_fit1_model1_img.png","software":"DAMFILT","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"5.0","model_data":"https://www.sasbdb.org/media/pdb_file/SASDFW7_fit1_model1.pdb","model_mw":36.429,"bead_radius":2.25,"log":null,"symmetry":null,"comment":null,"user":404}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDFW7_fit1_fixed_fit_img.png","software":"DAMMIN","chi_square_value":0.993,"p_value":0.162226,"fit_residual_plot":"SASDFW7_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDFW7_fit1.fir","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/loop4.log","software_version":null,"description":""},{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDFW7_fit2_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/SASDFW7_fit2_model1.pdb","model_mw":53.16,"bead_radius":null,"log":null,"symmetry":null,"comment":null,"user":404}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDFW7_fit2_fixed_fit_img.png","software":"CRYSOL","chi_square_value":1.05,"p_value":0.101231,"fit_residual_plot":"SASDFW7_fit2_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDFW7_fit2.fit","fit_log":null,"software_version":null,"description":""}],"estimated_volume_method":null,"pddf_software":"ATSAS GNOM","pddf_software_version":"5.0","i0_calibration_standard":null,"description":null,"experiment_description":"Synchrotron SAXS data from solutions of MCoA∆328-352 in 50 mM Tris-HCl, 150 mM NaCl, 2 mM TCEP, pH 7.5 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 = 0.09919 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 45.00 μl sample at 12 mg/ml was injected at a 0.10 ml/min flow rate onto a GE Superdex 200 Increase 3.2/300 column at 20°C. 3000 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 from the sample elution peak frames.","tags":[],"intensity_unit":"arbitrary","experimental_mw":48.3,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":48.1,"porod_mw_error":null,"pddf_i0":22.69,"pddf_i0_error":null,"guinier_i0":22.71,"guinier_i0_error":0.013,"pddf_rg":2.24,"pddf_rg_error":null,"guinier_rg":2.26,"guinier_rg_error":0.01,"pddf_dmax":6.88,"pddf_dmax_error":null,"porod_volume":77.4,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":20,"guinier_point_last":114,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDFW7_datloglog_img.png","symmetry":null,"last_modified":"2020-06-09T12:08:00.526110+02:00","bragg_peak":[]}