{"code":"SASDFX7","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/SASDFX7.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDFX7.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFX7_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFX7_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDFX7_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFX7_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDFX7.sascif","experiment":{"instrument":{"detector":{"type":null,"name":"Pilatus 2M","resolution":null},"name":"Diamond Light Source","city":"Didcot","country":"UK","beamline_name":"B21","beam_geometry":"1 x 5 mm","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 ∆337-346","short_name":"McoA∆337-346","sequence":">McoA∆337-346\r\nMLSKQSLNIPGYFLFPDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQT\r\nFSADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHP\r\nHGRTGYQVYYGLAGMIIIEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMG\r\nHMGFWGDTILVNLTPNPYMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGG\r\nLLDTPKEVNEILVAPGERIDILVDFRDASVNDVIKLYNFPHNLIGMGMIGMRMGNGMNMD\r\nMGMADNSEFEVMEFRVTKDSAYDKSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGE\r\nTWEDGYANPQDINNPKVLFEQNNGDVVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRA\r\nTDLGWKDTVIVAPMETVRIAVDMSHPYNEHQIYLLHCHILEHHDEGMMVNYRVNA","organism":"Aquifex 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TCEP","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.5,"deuteration":null},"purity_method":null,"name":"Aquifex aeolicus McoA metaloxidase deletion mutant ∆337-346  (MCoA∆337-346)","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Oeiras, Portugal","full_name":"Instituto de Tecnologia Química e Biológica António Xavier, Universidade de 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":"2017-12-04","storage_temperature":20.0,"cell_temperature":20.0,"exposure_time":3.0,"number_of_frames":885,"wavelength":0.0914,"sample_detector_distance":2.69,"concentration_min":null,"concentration_max":10.0,"sample_volume":45.0,"flow_rate":0.16,"s_min":0.032,"s_max":3.696,"total_exposure_time":null,"seccolumn":19},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDFX7_fit1_model1_img.png","software":"DAMMIF","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":"DAMFILT 5.0 (r9988)","model_data":"https://www.sasbdb.org/media/pdb_file/SASDFX7_fit1_model1.pdb","model_mw":41.594,"bead_radius":2.0,"log":null,"symmetry":null,"comment":null,"user":404}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDFX7_fit1_fixed_fit_img.png","software":"DAMMIN","chi_square_value":1.118,"p_value":0.958828,"fit_residual_plot":"SASDFX7_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDFX7_fit1.fir","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/loop18.log","software_version":null,"description":""},{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDFX7_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/SASDFX7_fit2_model1.pdb","model_mw":54.66,"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/SASDFX7_fit2_fixed_fit_img.png","software":"CRYSOL","chi_square_value":1.104,"p_value":0.794454,"fit_residual_plot":"SASDFX7_fit2_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDFX7_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∆337-346 in 50 mM Tris-HCl, 150 mM NaCl, 2 mM TCEP, pH 7.5 were collected on the B21 beam line at the Diamond Light Source (Didcot, UK) using a Pilatus 2M detector at a sample-detector distance of 2.7 m and at a wavelength of λ = 0.0914 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 10 mg/ml was injected at a 0.16 ml/min flow rate onto a Shodex KW403 column at 20°C. 885 successive 3 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":48.2,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":48.625,"porod_mw_error":null,"pddf_i0":0.08495,"pddf_i0_error":null,"guinier_i0":0.08527,"guinier_i0_error":0.0001,"pddf_rg":2.25,"pddf_rg_error":null,"guinier_rg":2.286,"guinier_rg_error":0.05,"pddf_dmax":7.01,"pddf_dmax_error":null,"porod_volume":77.8,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":48,"guinier_point_last":244,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDFX7_datloglog_img.png","symmetry":null,"last_modified":"2020-06-09T12:07:53.850745+02:00","bragg_peak":[]}