{"code":"SASDXE5","status":"Published","type_of_curve":"Merged","angular_unit":"1/nm","project":{"title":"Activation of a Secondary-Messenger Receptor via Allosteric Modulation of a Dynamic Conformational Ensemble.","publication":{"title":"Activation of a Secondary-Messenger Receptor via Allosteric Modulation of a Dynamic Conformational Ensemble.","author_list":"Söldner B, Singh H, Akoury E, Witte G, Linser R","journal":"Angew Chem Int Ed Engl","doi":"10.1002/anie.202509394","pmid":"40770896","published_date":"2025 Aug 6"},"status":"released","submitted_date":"2025-06-17","released_date":"2025-08-07"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDXE5.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDXE5.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDXE5_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDXE5_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDXE5_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDXE5_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDXE5.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":"Cyclic-di-AMP receptor","short_name":"PstA","sequence":"MGSSHHHHHHSSGLVPRGSHMKMIIAIVQDQDSQELADQLVKNNFRATKLATTGGFLRAGNTTFLCGVNDDRVDEILSVINQTCGNREQLVSPITPMGGSADSYIPYPVEVEVGGATVFVMPVDAFHQF","organism":"Staphylococcus aureus","uniprot_code":"A0A0D1JF17","uniprot_range_first":1,"uniprot_range_last":109,"oligomerization":"trimer","molecular_type":"protein","uniprot_sequence":"MKMIIAIVQDQDSQELADQLVKNNFRATKLATTGGFLRAGNTTFLCGVNDDRVDEILSVI\nNQTCGNREQLVSPITPMGGSADSYIPYPVEVEVGGATVFVMPVDAFHQF","mw":14.002,"total_mw":42.006,"number_molecules":3,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":"Cyclic-di-AMP receptor. The protein construct contains an additional 20 non-native amino acids at the N-terminus, including a polyhistidine tag (MGSSHHHHHHSSGLVPRGSH)."}],"buffer":{"name":"20 mM Tris, 150 mM NaCl","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.5,"deuteration":null},"purity_method":null,"name":"S.aureus PstA with c-di-AMP (cyclic-di-AMP receptor)","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Munich, Germany","full_name":"Ludwig-Maximilians-Universität München","webpage":"https://www.en.uni-muenchen.de"}],"contributor_name":"Gregor","contributor_surname":"Witte","orcid":"https://orcid.org/0000-0003-0313-0962"}],"concentration_method":null,"concentration_unit":null,"date":"2018-12-11","storage_temperature":20.0,"cell_temperature":10.0,"exposure_time":0.045,"number_of_frames":80,"wavelength":0.124402,"sample_detector_distance":3.0,"concentration_min":2.2,"concentration_max":11.0,"sample_volume":null,"flow_rate":null,"s_min":0.084,"s_max":6.998,"total_exposure_time":null,"seccolumn":null},"fits":[],"estimated_volume_method":null,"pddf_software":"ATSAS GNOM","pddf_software_version":null,"i0_calibration_standard":null,"description":"S.aureus PstA in presence of its ligand c-di-AMP (at 99% saturation). PstA binds 3 molecules of c-di-AMP. The affinity is in the range of KD=20 nM, thus no free c-di-AMP is expected.\r\nCyclic di-AMP: https://pubchem.ncbi.nlm.nih.gov/compound/121513901","experiment_description":null,"tags":[],"intensity_unit":"arbitrary","experimental_mw":42.8,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":54.0,"porod_mw_error":null,"pddf_i0":8006.0,"pddf_i0_error":null,"guinier_i0":7962.38,"guinier_i0_error":null,"pddf_rg":2.662,"pddf_rg_error":null,"guinier_rg":2.6,"guinier_rg_error":0.005,"pddf_dmax":11.0,"pddf_dmax_error":null,"porod_volume":86.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":7,"guinier_point_last":152,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDXE5_datloglog_img.png","symmetry":null,"last_modified":"2025-08-07T15:46:07.393357+02:00","bragg_peak":[]}