{"code":"SASDEP4","status":"Published","type_of_curve":"Merged","angular_unit":"1/A","project":{"title":"Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.","publication":{"title":"Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.","author_list":"Pádua RAP, Sun Y, Marko I, Pitsawong W, Stiller JB, Otten R, Kern D","journal":"Nat Commun","doi":"10.1038/s41467-018-06814-w","pmid":"30375376","published_date":"2018 Oct 30"},"status":"released","submitted_date":"2018-09-14","released_date":"2018-11-05"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDEP4.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDEP4.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEP4_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEP4_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDEP4_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEP4_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDEP4.sascif","experiment":{"instrument":{"detector":{"type":null,"name":"Rayonix MX225-HE","resolution":null},"name":"Stanford Synchrotron Radiation Lightsource (SSRL)","city":"Menlo Park, CA","country":"USA","beamline_name":"BL4-2","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":"Tyrosine-protein phosphatase non-receptor type 11 E76K","short_name":"SHP2 E76K","sequence":"GSGMTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTG\r\nDYYDLYGGEKFATLAKLVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGK\r\nEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYD\r\nVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETT\r\nDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEP\r\nVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEV\r\nERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHF\r\nRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIR\r\nEKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRI","organism":"Homo sapiens","uniprot_code":"Q06124","uniprot_range_first":1,"uniprot_range_last":529,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":"MTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTG\nDYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGK\nEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYD\nVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETT\nDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEP\nVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEV\nERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHF\nRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIR\nEKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRIEEEQKSKRKGH\nEYTNIKYSLADQTSGDQSPLPPCTPTPPCAEMREDSARVYENVGLMQQQKSFR","mw":60.911,"total_mw":60.911,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"50 mM ADA, 2 mM TCEP","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":6.5,"deuteration":null},"purity_method":null,"name":"Protein tyrosine phosphatase SHP2 with E76K activating mutation","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Chevy Chase, USA","full_name":"Howard Hughes Medical Institute, Department of Biochemistry, Brandeis University","webpage":"https://www.hhmi.org/"}],"contributor_name":"RIcardo","contributor_surname":"Padua","orcid":"https://orcid.org/0000-0001-9719-3440"}],"concentration_method":null,"concentration_unit":null,"date":"2016-03-28","storage_temperature":4.0,"cell_temperature":20.0,"exposure_time":1.0,"number_of_frames":10,"wavelength":0.1127,"sample_detector_distance":1.65,"concentration_min":0.76,"concentration_max":12.2,"sample_volume":null,"flow_rate":null,"s_min":0.141,"s_max":3.5,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDEP4_fit1_model1_img.png","software":"AllosMod","pdb_link":[{"pdb_code":"6cmq","ext_code":"6CMQ","ext_type":"pdb","difference_with_model":"derived"}],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDEP4_fit1_model1.pdb","model_mw":60.91,"bead_radius":null,"log":null,"symmetry":null,"comment":null,"user":367}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/multi_state_model_88pdb_fitfoxs_img.png","software":"MultiFoXS","chi_square_value":2.535761,"p_value":0.0,"fit_residual_plot":"multi_state_model_88pdb_fitfoxsresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDEP4_fit1.dat","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 Protein tyrosine phosphatase SHP2 with E76K activating mutation in 50 mM ADA, 2 mM TCEP, pH 6.5 were collected on the BL4-2 beam line at the Stanford Synchrotron Radiation Lightsource (SSRL; Stanford, CA, USA) using a Rayonix MX225-HE detector at a sample-detector distance of 1.7 m and at a wavelength of λ = 0.1127 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Solute concentrations ranging between 0.8 and 12.2 mg/ml were measured at 20°C. 10 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. 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":"arbitrary","experimental_mw":53.15,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":null,"porod_mw_error":null,"pddf_i0":143.3,"pddf_i0_error":null,"guinier_i0":142.7,"guinier_i0_error":0.44,"pddf_rg":2.95,"pddf_rg_error":null,"guinier_rg":2.91,"guinier_rg_error":0.062,"pddf_dmax":9.53,"pddf_dmax_error":null,"porod_volume":null,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":2,"guinier_point_last":34,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDEP4_datloglog_img.png","symmetry":null,"last_modified":"2019-12-06T13:07:15.624532+01:00","bragg_peak":[]}