{ "code": "SASDUW2", "status": "Published", "type_of_curve": "Merged", "angular_unit": "1/nm", "project": { "title": "Sequential conformational transition of ArnB, an archaeal ortholog with Sec23/Sec24 core motif", "publication": { "title": "Sequential conformational transition of ArnB, an archaeal ortholog with Sec23/Sec24 core motif", "author_list": "Essen L, Korf L, Steinchen W, Watad M, Bezold F, Vogt M, Selbach L, Penner A, Tourte M, Hepp S, Albers S", "journal": null, "doi": "10.21203/rs.3.rs-3955852/v1", "pmid": null, "published_date": "2024 Mar 11" }, "status": "released", "submitted_date": "2024-02-09", "released_date": "2025-11-19" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDUW2.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDUW2.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUW2_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUW2_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDUW2_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUW2_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDUW2.sascif", "experiment": { "instrument": { "detector": { "type": "Dectris", "name": "Pilatus 1M", "resolution": 172.0 }, "name": "ESRF", "city": "Grenoble", "country": "France", "beamline_name": "BM29", "beam_geometry": "", "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": "Conserved protein", "short_name": "ArnA", "sequence": "MTWKCNLCGYENDDDALFCIKCGAQKSSEAQQLPQQQPSEPQAQGVVTQQQVVTNPPVQA\r\nQVATPQQPAQQPVLPQPEPAQPQPVSSTPAPQQASQPTNRYYIYFIQTPNENLVNKKVLL\r\nNFDLFPSVSMGRSPENIVIVPDSEVSRKHAVIYLDNSELYIEDLNSTNGTYVYDGKQFTP\r\nIKGKQKIEPNSIIKLGNQTIVRILKEWSHPQFEK", "organism": "Sulfolobus acidocaldarius (strain ATCC 33909 / DSM 639 / JCM 8929 / NBRC 15157 / NCIMB 11770)", "uniprot_code": "Q4J9H4", "uniprot_range_first": 1, "uniprot_range_last": 206, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MTWKCNLCGYENDDDALFCIKCGAQKSSEAQQLPQQQPSEPQAQGVVTQQQVVTNPPVQA\nQVATPQQPAQQPVLPQPEPAQPQPVSSTPAPQQASQPTNRYYIYFIQTPNENLVNKKVLL\nNFDLFPSVSMGRSPENIVIVPDSEVSRKHAVIYLDNSELYIEDLNSTNGTYVYDGKQFTP\nIKGKQKIEPNSIIKLGNQTIVRILKE", "mw": 23.992, "total_mw": 23.992, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": "ArnA is a component of the archaella regulatory network. The protein construct used for SAXS contains an additional non-native WSHPQFEK C-terminal extension." }, { "long_name": "Conserved protein", "short_name": "ArnB", "sequence": "MATISVKAELSHKYSFTSPLKGVFRLIIVPEKVSTARGFHYIILLDTSGSMYGVKIETAKQGAMELLSRIPEGNKISFLTFSNNVNILSEYADAPSLVQQIKQIRSGGQTVLYRALERAIEIAKKHDLPGYIILLTDGQPTDVPETDAYEKLNYPEAYKVIAFGIGDDYNERLLKVITDKTAGILYHVEDAKEIAEMLPQSAVTEIGAKNVSIDIVSETQVKLLNYPGPPVKLGAVESVVRVYGEIIIPPNFTGRLATVKISYEDPLSSRINRLEVNFDITRANDVKRFLDGINNDLVNEYRYYELMSKLANQLNSNNLSEATRTVEQMQMIAQQTRRMELIETTRRISESIETTRRIGTVEQTRKISKEITSEVTKKLRSHHHHHH", "organism": "Sulfolobus acidocaldarius (strain ATCC 33909 / DSM 639 / JCM 8929 / NBRC 15157 / NCIMB 11770)", "uniprot_code": "Q4J9H3", "uniprot_range_first": 2, "uniprot_range_last": 380, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MTISVKAELSHKYSFTSPLKGVFRLIIVPEKVSTARGFHYIILLDTSGSMYGVKIETAKQ\nGAMELLSRIPEGNKISFLTFSNNVNILSEYADAPSLVQQIKQIRSGGQTVLYRALERAIE\nIAKKHDLPGYIILLTDGQPTDVPETDAYEKLNYPEAYKVIAFGIGDDYNERLLKVITDKT\nAGILYHVEDAKEIAEMLPQSAVTEIGAKNVSIDIVSETQVKLLNYPGPPVKLGAVESVVR\nVYGEIIIPPNFTGRLATVKISYEDPLSSRINRLEVNFDITRANDVKRFLDGINNDLVNEY\nRYYELMSKLANQLNSNNLSEATRTVEQMQMIAQQTRRMELIETTRRISESIETTRRIGTV\nEQTRKISKEITSEVTKKLRS", "mw": 43.651, "total_mw": 43.651, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": "ArnB component of archaealla regulatory network. The protein construct used for SAXS contains an additional C-terminal polyhistidine tag (HHHHHH)." } ], "buffer": { "name": "50 mM Tris, 150 mM NaCl", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 8.0, "deuteration": null }, "purity_method": null, "name": "ArnA-ArnB complex, unphosphorylated", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": null, "address": "Marburg, Germany", "full_name": "Philipps-Universität Marburg", "webpage": "" } ], "contributor_name": "Lars-Oliver", "contributor_surname": "Essen", "orcid": "" } ], "concentration_method": null, "concentration_unit": null, "date": "2018-02-15", "storage_temperature": 4.0, "cell_temperature": 20.0, "exposure_time": null, "number_of_frames": null, "wavelength": 0.1, "sample_detector_distance": 2.43, "concentration_min": null, "concentration_max": null, "sample_volume": null, "flow_rate": null, "s_min": 0.065, "s_max": 4.928, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDUW2_fit1_model1_img.png", "software": "DAMMIN", "pdb_link": [], "model_title": null, "type_of_model": "dummy", "software_version": "DAMAVER 5.0 (r9988)", "model_data": "https://www.sasbdb.org/media/pdb_file/SASDUW2_fit1_model1.pdb", "model_mw": 52.389, "bead_radius": null, "log": null, "symmetry": "P1", "comment": null, "user": 1032 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDUW2_fit1_fixed_fit_img.png", "software": "DAMMIN", "chi_square_value": 1.013, "p_value": 0.3633, "fit_residual_plot": "SASDUW2_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDUW2_fit1.fir", "fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/merge_001ArnAB2.log", "software_version": "5.3", "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 the ArnA-ArnB complex in 50 mM Tris, 150 mM NaCl, pH 8 were collected on the BM29 beam line at the ESRF (Grenoble, France) at 20°C using a Pilatus 1M detector at a sample-detector distance of 2.4 m and at a wavelength of λ = 0.1 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). 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": 64.0, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": 50.0, "porod_mw_error": null, "pddf_i0": 53.88, "pddf_i0_error": 0.994, "guinier_i0": 55.1606, "guinier_i0_error": null, "pddf_rg": 4.196, "pddf_rg_error": 0.183, "guinier_rg": 4.153, "guinier_rg_error": 0.112, "pddf_dmax": 19.2, "pddf_dmax_error": null, "porod_volume": 80.7, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 7, "guinier_point_last": 40, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDUW2_datloglog_img.png", "symmetry": null, "last_modified": "2025-11-19T15:49:10.026533+01:00", "bragg_peak": [] }