{"code":"SASDWK4","status":"Published","type_of_curve":"SEC-SAS","angular_unit":"1/A","project":{"title":"Extremophilic hemoglobins: The structure of Shewanella benthica truncated hemoglobin N","publication":{"title":"Extremophilic hemoglobins: The structure of Shewanella benthica truncated hemoglobin N","author_list":"Martinez Grundman J, Schultz T, Schlessman J, Johnson E, Gillilan R, Lecomte J","journal":"Journal of Biological Chemistry","doi":"10.1016/j.jbc.2025.108223","pmid":null,"published_date":"2025 Jan"},"status":"released","submitted_date":"2025-01-09","released_date":"2025-01-30"},"pddf_data":null,"intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDWK4.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWK4_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWK4_kratky_img.png","pddf_plot":null,"intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWK4_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDWK4.sascif","experiment":{"instrument":{"detector":{"type":null,"name":"Eiger 4M","resolution":75.0},"name":"Cornell High Energy Synchrotron Source (CHESS)","city":"Ithaca, NY","country":"USA","beamline_name":"ID7A1 BioSAXS / HP-Bio Beamline","beam_geometry":null,"type_of_source":"X-ray synchrotron","point_source":true,"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":"Group 1 truncated hemoglobin (C51S, C71S)","short_name":"S2SbHbN","sequence":"SLYERLGGEQKIARIAADIFDTHATNPTVASRYKDSDRERVIKMVTEFLSAGTGGPQDY\r\nTGKSMPEAHRSMNINEAEYLAVIDDIMVALDKNEVGDQEKQELLMIAYSLKGEIIGA","organism":"Shewanella benthica KT99","uniprot_code":"A9DF82","uniprot_range_first":2,"uniprot_range_last":117,"oligomerization":"other","molecular_type":"protein","uniprot_sequence":"MSLYERLGGEQKIARIAADIFDTHATNPTVASRYKDSDRERVIKMVTEFLCAGTGGPQDY\nTGKSMPEAHRCMNINEAEYLAVIDDIMVALDKNEVGDQEKQELLMIAYSLKGEIIGA","mw":12.823,"total_mw":12.823,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":"Shewanella benthica truncated hemoglobin N, S2SbHbN - UniProt A9DF82- with Met cleaved N-terminus and C51S, C71S point mutations."}],"buffer":{"name":"14 mM Tris, 6 mM potassium phosphate","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.0,"deuteration":null},"purity_method":null,"name":"Shewanella benthica hemoglobin","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Ithaca, NY, United States","full_name":"Cornell University","webpage":"https://www.cornell.edu/"}],"contributor_name":"Richard","contributor_surname":"Gillilan","orcid":""}],"concentration_method":null,"concentration_unit":null,"date":"2022-05-01","storage_temperature":4.0,"cell_temperature":23.0,"exposure_time":2.0,"number_of_frames":1,"wavelength":0.1241,"sample_detector_distance":1.648,"concentration_min":null,"concentration_max":10.0,"sample_volume":100.0,"flow_rate":0.5,"s_min":0.086,"s_max":4.66,"total_exposure_time":null,"seccolumn":1},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDWK4_fit1_model1_img.png","software":"PDB (Protein Data Bank)","pdb_link":[{"pdb_code":"7tt9","ext_code":"7TT9","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/SASDWK4_fit1_model1.pdb","model_mw":13.42,"bead_radius":null,"log":null,"symmetry":null,"comment":"PDB 7TT9 monomer","user":9},{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDWK4_fit1_model2_img.png","software":"PDB (Protein Data Bank)","pdb_link":[{"pdb_code":"7tt9","ext_code":"7TT9","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/SASDWK4_fit1_model2.pdb","model_mw":26.83,"bead_radius":null,"log":null,"symmetry":null,"comment":"PDB 7TT9 dimer","user":9}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDWK4_fit1_fixed_fit_img.png","software":"OLIGOMER","chi_square_value":1.01,"p_value":0.0122,"fit_residual_plot":"SASDWK4_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDWK4_fit1.fit","fit_log":null,"software_version":"7.1","description":"*** O L I G O M E R *** \r\n================================================================================\r\n 04-Jan-2025 08:20:45\r\n Option 0: a set of form-factors and several sets of experimental data \r\n Form-factor file mon_dimer.dat\r\n Real oligomer weights 1618 3236 10235\r\n Oligomer radii of gyration 13.97 19.74 0.00\r\n Experimental data file S_heme_beth_1_data_000703.dat Range of Scattering angle: 0.01 0.20\r\n Using non-negativity condition \r\n Using constant as additional component \r\n Output file S_heme_beth_1_data_000703.fit\r\n Chi^2 Volume fractions +- errors\r\n--------------------------------------------------------------------------------\r\n================================================================================\r\nS_heme_beth_1_data_0 1.01 2578. 18.4 0.407+-0.013 0.593+-0.009 0.00000E+00+- 0.00000E+00\r\n================================================================================"}],"estimated_volume_method":null,"pddf_software":null,"pddf_software_version":null,"i0_calibration_standard":null,"description":"40% monomer + 60% dimer. Single 2-sec exposure from peak of SAXS chromatogram. Fit to monomer and dimer from PDB: 7TT9 via OLIGOMER.","experiment_description":null,"tags":[],"intensity_unit":"1/cm","experimental_mw":18.2,"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":0.0177494,"guinier_i0_error":null,"pddf_rg":null,"pddf_rg_error":null,"guinier_rg":1.755,"guinier_rg_error":0.02,"pddf_dmax":5.8,"pddf_dmax_error":null,"porod_volume":30.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":28,"guinier_point_last":297,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDWK4_datloglog_img.png","symmetry":null,"last_modified":"2025-01-30T16:04:48.773317+01:00","bragg_peak":[]}