{ "code": "SASDXF6", "status": "Published", "type_of_curve": "SEC-SAS", "angular_unit": "1/nm", "project": { "title": "Acylation of the RTX toxin MbxA stimulates host membrane disruption through a specific interaction with cholesterol", "publication": { "title": "Acylation of the RTX toxin MbxA stimulates host membrane disruption through a specific interaction with cholesterol", "author_list": "Chacko F, Ganz S, Pfitzer-Bilsing A, Hänsch S, Westhoff P, Weidtkamp-Peters S, Smits S, Exterkate M, Schmitt L", "journal": "Biochimica et Biophysica Acta (BBA) - Biomembranes", "doi": "10.1016/j.bbamem.2025.184487", "pmid": null, "published_date": "2025 Nov" }, "status": "released", "submitted_date": "2025-04-02", "released_date": "2026-03-02" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDXF6.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDXF6.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDXF6_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDXF6_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDXF6_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDXF6_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDXF6.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": "RTX cytotoxin pro-MbxA without acylation", "short_name": "pro-MbxA", "sequence": "HHHHHHMSNINVIKSNIQAGLNSTKSGLKNLYLAIPKDYDPQKGGTLNDFIKAADELGIARLAEEPNHTETAKKSV\r\nDTVNQFLSLTQTGIAISATKLEKFLQKHSTNKLAKGLDSVENIDRKLGKASNVLSTLSSFLGTALAGIEL\r\nDSLIKKGDAAPDALAKASIDLINEIIGNLSQSTQTIEAFSSQLAKLGSTISQAKGFSNIGNKLQNLNFSK\r\nTNLGLEIITGLLSGISAGFALADKNASTGKKVAAGFELSNQVIGNVTKAISSYVLAQRVAAGLSTTGAVA\r\nALITSSIMLAISPLAFMNAADKFNHANALDEFAKQFRKFGYDGDHLLAEYQRGVGTIEASLTTISTALGA\r\nVSAGVSAAAVGSAVGAPIALLVAGVTGLISGILEASKQAMFESVANRLQGKILEWEKQNGGQNYFDKGYD\r\nSRYAAYLANNLKFLSELNKELEAERVIAITQQRWDNNIGELAGITKLGERIKSGKAYADAFEDGKKVEAG\r\nSNITLDAKTGIIDISNSNGKKTQALHFTSPLLTAGTESRERLTNGKYSYINKLKFGRVKNWQVTDGEASS\r\nKLDFSKVIQRVAETEGTDEIGLIVNAKAGNDDIFVGQGKMNIDGGDGHDRVFYSKDGGFGNITVDGTSAT\r\nEAGSYTVNRKVARGDIYHEVVKRQETKVGKRTETIQYRDYELRKVGYGYQSTDNLKSVEEVIGSQFNDVF\r\nKGSKFNDIFHSGEGDDLLDGGAGDDRLFGGKGNDRLSGDEGDDLLDGGSGDDVLNGGAGNDVYIFRKGDG\r\nNDTLYDGTGNDKLAFADANISDIMIERTKEGIIVKRNDHSGSINIPRWYITSNLQNYQSNKTDHKIEQLI\r\nGKDGSYITSDQIDKILQDKKDGTVITSQELKKLADENKSQKLSASDIASSLNKLVGSMALFGTANSVSSN\r\nALQPITQPTQGILAPSV", "organism": "Moraxella bovis", "uniprot_code": "Q93GI2", "uniprot_range_first": null, "uniprot_range_last": null, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MSNINVIKSNIQAGLNSTKSGLKNLYLAIPKDYDPQKGGTLNDFIKAADELGIARLAEEP\nNHTETAKKSVDTVNQFLSLTQTGIAISATKLEKFLQKHSTNKLAKGLDSVENIDRKLGKA\nSNVLSTLSSFLGTALAGIELDSLIKKGDAAPDALAKASIDLINEIIGNLSQSTQTIEAFS\nSQLAKLGSTISQAKGFSNIGNKLQNLNFSKTNLGLEIITGLLSGISAGFALADKNASTGK\nKVAAGFELSNQVIGNVTKAISSYVLAQRVAAGLSTTGAVAALITSSIMLAISPLAFMNAA\nDKFNHANALDEFAKQFRKFGYDGDHLLAEYQRGVGTIEASLTTISTALGAVSAGVSAAAV\nGSAVGAPIALLVAGVTGLISGILEASKQAMFESVANRLQGKILEWEKQNGGQNYFDKGYD\nSRYAAYLANNLKFLSELNKELEAERVIAITQQRWDNNIGELAGITKLGERIKSGKAYADA\nFEDGKKVEAGSNITLDAKTGIIDISNSNGKKTQALHFTSPLLTAGTESRERLTNGKYSYI\nNKLKFGRVKNWQVTDGEASSKLDFSKVIQRVAETEGTDEIGLIVNAKAGNDDIFVGQGKM\nNIDGGDGHDRVFYSKDGGFGNITVDGTSATEAGSYTVNRKVARGDIYHEVVKRQETKVGK\nRTETIQYRDYELRKVGYGYQSTDNLKSVEEVIGSQFNDVFKGSKFNDIFHSGEGDDLLDG\nGAGDDRLFGGKGNDRLSGDEGDDLLDGGSGDDVLNGGAGNDVYIFRKGDGNDTLYDGTGN\nDKLAFADANISDIMIERTKEGIIVKRNDHSGSINIPRWYITSNLQNYQSNKTDHKIEQLI\nGKDGSYITSDQIDKILQDKKDGTVITSQELKKLADENKSQKLSASDIASSLNKLVGSMAL\nFGTANSVSSNALQPITQPTQGILAPSV", "mw": 99.667, "total_mw": 99.667, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": "non-acylated form, pro-MbxA" } ], "buffer": { "name": "50 mM Tris, 100 mM NaCl, 10mM CaCl2", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 7.8, "deuteration": null }, "purity_method": null, "name": "RTX cytotoxin pro-MbxA without acylation (pro-MbxA)", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": null, "address": "Düsseldorf, Germany", "full_name": "Heinrich Heine University Düsseldorf", "webpage": "https://www.uni-duesseldorf.de" } ], "contributor_name": "Jens", "contributor_surname": "Reiners", "orcid": "" } ], "concentration_method": null, "concentration_unit": null, "date": "2022-05-09", "storage_temperature": 10.0, "cell_temperature": 20.0, "exposure_time": 0.995, "number_of_frames": 3000, "wavelength": 0.155, "sample_detector_distance": 3.0, "concentration_min": null, "concentration_max": 5.3, "sample_volume": 100.0, "flow_rate": 0.5, "s_min": 0.073, "s_max": 5.723, "total_exposure_time": null, "seccolumn": 5 }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDXF6_fit1_model1_img.png", "software": "SREFLEX", "pdb_link": [], "model_title": null, "type_of_model": "atomic", "software_version": "ATSAS 3.0.5 (r13837)", "model_data": "https://www.sasbdb.org/media/pdb_file/SASDXF6_fit1_model1.pdb", "model_mw": 99.64, "bead_radius": null, "log": "https://www.sasbdb.org/media/log_files/report_3lr1YNR.txt", "symmetry": "P1", "comment": null, "user": 402 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDXF6_fit1_fixed_fit_img.png", "software": "SREFLEX", "chi_square_value": 1.178, "p_value": 0.0, "fit_residual_plot": "SASDXF6_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDXF6_fit1.fit", "fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/log_pUmvNmS.txt", "software_version": "ATSAS 3.0.5 (r13837)", "description": "" }, { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDXF6_fit2_model1_img.png", "software": "GASBOR", "pdb_link": [], "model_title": null, "type_of_model": "dummy", "software_version": "ATSAS 3.0.5 (r13837)", "model_data": "https://www.sasbdb.org/media/pdb_file/SASDXF6_fit2_model1.pdb", "model_mw": null, "bead_radius": null, "log": "https://www.sasbdb.org/media/log_files/mbxP1g8.log", "symmetry": "P1", "comment": null, "user": 402 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDXF6_fit2_fixed_fit_img.png", "software": "GASBOR", "chi_square_value": 1.19, "p_value": 0.0, "fit_residual_plot": "SASDXF6_fit2_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDXF6_fit2.fir", "fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/mbxP1g8.log", "software_version": "ATSAS 3.0.5 (r13837)", "description": "" }, { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDXF6_fit3_model1_img.png", "software": "AlphaFold", "pdb_link": [], "model_title": "SASDXF6_alfafold_fit", "type_of_model": "atomic", "software_version": null, "model_data": "https://www.sasbdb.org/media/pdb_file/SASDXF6_fit3_model1.pdb", "model_mw": 99.64, "bead_radius": 1.9, "log": null, "symmetry": null, "comment": null, "user": 402 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDXF6_fit3_fixed_fit_img.png", "software": "CRYSOL", "chi_square_value": 13.232, "p_value": 0.0, "fit_residual_plot": "SASDXF6_fit3_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDXF6_fit3.fit", "fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/SASDXF3_fit1_model1.log", "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": "1/cm", "experimental_mw": 104.85, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": 95.98, "porod_mw_error": null, "pddf_i0": 0.0494, "pddf_i0_error": null, "guinier_i0": 0.049073, "guinier_i0_error": null, "pddf_rg": 3.903, "pddf_rg_error": null, "guinier_rg": 3.803, "guinier_rg_error": 0.01, "pddf_dmax": 13.36, "pddf_dmax_error": null, "porod_volume": 153.56, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 41, "guinier_point_last": 123, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDXF6_datloglog_img.png", "symmetry": null, "last_modified": "2026-03-02T17:17:55.978050+01:00", "bragg_peak": [] }