{"code":"SASDWJ7","status":"Published","type_of_curve":"SEC-SAS","angular_unit":"1/nm","project":{"title":"Conformational multiplicity of bacterial ferric binding protein revealed by small angle x-ray scattering and molecular dynamics calculations","publication":{"title":"Conformational multiplicity of bacterial ferric binding protein revealed by small angle x-ray scattering and molecular dynamics calculations","author_list":"Liu G, Ekmen E, Jalalypour F, Mertens H, Jeffries C, Svergun D, Atilgan A, Atilgan C, Sayers Z","journal":"The Journal of Chemical Physics","doi":"10.1063/5.0136558","pmid":null,"published_date":"2023 Feb 24"},"status":"released","submitted_date":"2025-02-13","released_date":"2025-07-28"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDWJ7.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDWJ7.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWJ7_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWJ7_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDWJ7_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWJ7_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDWJ7.sascif","experiment":{"instrument":{"detector":{"type":null,"name":"Pilatus 6M","resolution":null},"name":"PETRA III","city":"DESY; Hamburg","country":"Germany","beamline_name":"EMBL P12","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":"Iron-utilization periplasmic protein","short_name":"FBPA_HAEIN","sequence":"SDITVYNGQHKEAATAVAKAFEQETGIKVTLNSGKSEQLAGQLKEEGDKTPAAVFYTEQTATFADLSEAGLLAPISEQTIQQTAQKGVPLAPKKDWIALSGRSRVVVYDHTKLSEKDMEKSVLDYATPKWKGKIGYVSTSGAFLEQVVALSKMKGDKVALNWLKGLKENGKLYAKNSVALQAVENGEVPAALINNYYWYNLAKEKGVENLKSRLYFVRHQDPGALVSYSGAAVLKASKNQAEAQKFVDFLASKKGQEALVAARAEYPLRADVVSPFNLEPYEKLEAPVVSATTAQDKEHAIKLIEEAGLK","organism":"Haemophilus influenzae","uniprot_code":"P35755","uniprot_range_first":23,"uniprot_range_last":332,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":"MQFKHFKLATLAAALAFSANSFADITVYNGQHKEAATAVAKAFEQETGIKVTLNSGKSEQ\nLAGQLKEEGDKTPADVFYTEQTATFADLSEAGLLAPISEQTIQQTAQKGVPLAPKKDWIA\nLSGRSRVVVYDHTKLSEKDMEKSVLDYATPKWKGKIGYVSTSGAFLEQVVALSKMKGDKV\nALNWLKGLKENGKLYAKNSVALQAVENGEVPAALINNYYWYNLAKEKGVENLKSRLYFVR\nHQDPGALVSYSGAAVLKASKNQAEAQKFVDFLASKKGQEALVAARAEYPLRADVVSPFNL\nEPYEKLEAPVVSATTAQDKEHAIKLIEEAGLK","mw":33.768,"total_mw":33.768,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":null}],"buffer":{"name":"10 mM Na2HPO4 . 7H2O  1.8 mM KH2PO4  137 mM NaCl  2.7 mM KCl  5% v/v Glycerol","concentration_unit":null,"comment":"PBS buffer","additive":null,"concentration":null,"pka":null,"ph":7.4,"deuteration":null},"purity_method":null,"name":"Wild type ferric binding protein (FbpA) in apo (no Fe) form in high ionic strength (HIS) buffer (PBS)","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":null,"full_name":"Sabanci University","webpage":null}],"contributor_name":"Goksin","contributor_surname":"Liu","orcid":""},{"affiliation":[{"short_name":null,"address":null,"full_name":"Sabanci University","webpage":null}],"contributor_name":"Zehra","contributor_surname":"Sayers","orcid":""}],"concentration_method":null,"concentration_unit":null,"date":"2019-12-09","storage_temperature":4.0,"cell_temperature":10.0,"exposure_time":0.995,"number_of_frames":3600,"wavelength":0.123987,"sample_detector_distance":3.0,"concentration_min":null,"concentration_max":14.4,"sample_volume":75.0,"flow_rate":0.5,"s_min":0.088,"s_max":7.302,"total_exposure_time":null,"seccolumn":1},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDWJ7_fit1_model1_img.png","software":"DAMFILT","pdb_link":[],"model_title":null,"type_of_model":"dummy","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDWJ7_fit1_model1.pdb","model_mw":26.378,"bead_radius":1.75,"log":null,"symmetry":null,"comment":null,"user":548}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDWJ7_fit1_fixed_fit_img.png","software":"DAMMIN","chi_square_value":1.136,"p_value":0.0307,"fit_residual_plot":"SASDWJ7_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDWJ7_fit1.fir","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":null,"tags":[],"intensity_unit":"arbitrary","experimental_mw":29.8,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":28.4,"porod_mw_error":null,"pddf_i0":4814.0,"pddf_i0_error":null,"guinier_i0":4822.49,"guinier_i0_error":null,"pddf_rg":2.061,"pddf_rg_error":null,"guinier_rg":2.07,"guinier_rg_error":0.0,"pddf_dmax":6.53,"pddf_dmax_error":null,"porod_volume":38.9,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":18,"guinier_point_last":195,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDWJ7_datloglog_img.png","symmetry":null,"last_modified":"2025-11-23T16:41:30.420462+01:00","bragg_peak":[]}