{ "code": "SASDA45", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/nm", "project": { "title": "A structural model of PpoA derived from SAXS-analysis-implications for substrate conversion.", "publication": { "title": "A structural model of PpoA derived from SAXS-analysis-implications for substrate conversion.", "author_list": "Koch C, Tria G, Fielding AJ, Brodhun F, Valerius O, Feussner K, Braus GH, Svergun DI, Bennati M, Feussner I", "journal": "Biochim Biophys Acta", "doi": "10.1016/j.bbalip.2013.06.003", "pmid": "23797010", "published_date": "2013 Sep" }, "status": "released", "submitted_date": null, "released_date": "2014-07-01" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDA45.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDA45.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDA45_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDA45_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDA45_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDA45_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDA45.sascif", "experiment": { "instrument": { "detector": { "type": "Custom-built", "name": "Pilatus 1M-W", "resolution": 0.172 }, "name": "DORIS III, DESY", "city": "Hamburg", "country": "Germany", "beamline_name": "EMBL X33", "beam_geometry": "0.60", "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": "Psi-producing oxygenase A", "short_name": "PpoA", "sequence": ">sp|Q6RET3|PPOA_EMEND Psi-producing oxygenase A OS=Emericella nidulans GN=ppoA PE=1 SV=1\r\nMGEDKETNILAGLGNTISQVENVVAASLRPLPTATGDGTYVAESTQTGLAKDLSHVDLKD\r\nVRTLAEVVKSAATGEPVDDKQYIMERVIQLAAGLPSTSRNAAELTKSFLNMLWNDLEHPP\r\nVSYLGADSMHRKADGSGNNRFWPQLGAAGSAYARSVRPKTMQSPSLPDPETIFDCLLRRK\r\nEYREHPNKISSVLFYLASIIIHDLFQTDPKDNSVSKTSSYLDLSPLYGNNQDEQNLVRTF\r\nKDGKLKPDCFATKRVLGFPPGVGVLLIMFNRFHNYVVDQLAAINECGRFTKPDESNVDEY\r\nAKYDNNLFQTGRLVTCGLYANIILKDYVRTILNINRTDSTWSLDPRMEMKDGLLGEAAAM\r\nATGNQVSAEFNVVYRWHACISKRDEKWTEDFHREIMPGVDPSTLSMQDFVAGLGRWQAGL\r\nPQEPLERPFSGLQRKPDGAFNDDDLVNLFEKSVEDCAGAFGASHVPAIFKSVEALGIMQA\r\nRRWNLGTLNEFRQYFNLAPHKTFEDINSDPYIADQLKRLYDHPDLVEIYPGVVVEEAKDS\r\nMVPGSGLCTNFTISRAILSDAVALVRGDRFYTVDYTPKHLTNWAYNEIQPNNAVDQGQVF\r\nYKLVLRAFPNHFDGNSIYAHFPLVVPSENEKILKSLGVAEKYSWEKPSRISHPIFISSHA\r\nACMSILENQETFKVTWGRKIEFLMQRDKHQYGKDFMLSGDRPPNAASRKMMGSALYRDEW\r\nEAEVKNFYEQTTLKLLHKNSYKLAGVNQVDIVRDVANLAQVHFCSSVFSLPLKTDSNPRG\r\nIFAESELYKIMAAVFTAIFYDADIGKSFELNQAARTVTQQLGQLTMANVEIIAKTGLIAN\r\nLVNRLHRRDVLSEYGIHMIQRLLDSGLPATEIVWTHILPTAGGMVANQAQLFSQCLDYYL\r\nSEEGSGHLPEINRLAKENTPEADELLTRYFMEGARLRSSVALPRVAAQPTVVEDNGEKLT\r\nIKAGQVVMCNLVSACMDPTAFPDPEKVKLDRDMNLYAHFGFGPHKCLGLDLCKTGLSTML\r\nKVLGRLDNLRRAPGAQGQLKKLSGPGGIAKYMNEDQSGFTPFPSTMKIQWDGELPQLKED\r\nF", "organism": "Aspergillus nidulans", "uniprot_code": "Q6RET3", "uniprot_range_first": null, "uniprot_range_last": null, "oligomerization": "trimer", "molecular_type": "protein", "uniprot_sequence": "MGEDKETNILAGLGNTISQVENVVAASLRPLPTATGDGTYVAESTQTGLAKDLSHVDLKD\nVRTLAEVVKSAATGEPVDDKQYIMERVIQLAAGLPSTSRNAAELTKSFLNMLWNDLEHPP\nVSYLGADSMHRKADGSGNNRFWPQLGAAGSAYARSVRPKTMQSPSLPDPETIFDCLLRRK\nEYREHPNKISSVLFYLASIIIHDLFQTDPKDNSVSKTSSYLDLSPLYGNNQDEQNLVRTF\nKDGKLKPDCFATKRVLGFPPGVGVLLIMFNRFHNYVVDQLAAINECGRFTKPDESNVDEY\nAKYDNNLFQTGRLVTCGLYANIILKDYVRTILNINRTDSTWSLDPRMEMKDGLLGEAAAM\nATGNQVSAEFNVVYRWHACISKRDEKWTEDFHREIMPGVDPSTLSMQDFVAGLGRWQAGL\nPQEPLERPFSGLQRKPDGAFNDDDLVNLFEKSVEDCAGAFGASHVPAIFKSVEALGIMQA\nRRWNLGTLNEFRQYFNLAPHKTFEDINSDPYIADQLKRLYDHPDLVEIYPGVVVEEAKDS\nMVPGSGLCTNFTISRAILSDAVALVRGDRFYTVDYTPKHLTNWAYNEIQPNNAVDQGQVF\nYKLVLRAFPNHFDGNSIYAHFPLVVPSENEKILKSLGVAEKYSWEKPSRISHPIFISSHA\nACMSILENQETFKVTWGRKIEFLMQRDKHQYGKDFMLSGDRPPNAASRKMMGSALYRDEW\nEAEVKNFYEQTTLKLLHKNSYKLAGVNQVDIVRDVANLAQVHFCSSVFSLPLKTDSNPRG\nIFAESELYKIMAAVFTAIFYDADIGKSFELNQAARTVTQQLGQLTMANVEIIAKTGLIAN\nLVNRLHRRDVLSEYGIHMIQRLLDSGLPATEIVWTHILPTAGGMVANQAQLFSQCLDYYL\nSEEGSGHLPEINRLAKENTPEADELLTRYFMEGARLRSSVALPRVAAQPTVVEDNGEKLT\nIKAGQVVMCNLVSACMDPTAFPDPEKVKLDRDMNLYAHFGFGPHKCLGLDLCKTGLSTML\nKVLGRLDNLRRAPGAQGQLKKLSGPGGIAKYMNEDQSGFTPFPSTMKIQWDGELPQLKED\nF", "mw": 120.78, "total_mw": 362.34, "number_molecules": 3, "complex_state": null, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "20 Mm HEPES", "concentration_unit": "mM", "comment": null, "additive": null, "concentration": 20.0, "pka": null, "ph": 7.5, "deuteration": null }, "purity_method": null, "name": "PpoA wild type enzyme", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": "EMBL-Hamburg", "address": "Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany", "full_name": "European Molecular Biology Laboratory (EMBL) - Hamburg outstation", "webpage": "http://www.embl-hamburg.de/index.php" } ], "contributor_name": "Giancarlo", "contributor_surname": "Tria", "orcid": null } ], "concentration_method": null, "concentration_unit": "mg/ml", "date": "2011-06-24", "storage_temperature": 10.0, "cell_temperature": 10.0, "exposure_time": 120.0, "number_of_frames": 8, "wavelength": 0.15, "sample_detector_distance": 2.7, "concentration_min": 0.4, "concentration_max": 26.0, "sample_volume": null, "flow_rate": null, "s_min": 0.085, "s_max": 6.029, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDA45_fit1_model1_img.png", "software": "SASREF", "pdb_link": [], "model_title": null, "type_of_model": "atomic", "software_version": "", "model_data": "https://www.sasbdb.org/media/pdb_file/SASDA45_fit1_model1.pdb", "model_mw": 365.3, "bead_radius": 0.0, "log": null, "symmetry": "", "comment": "", "user": 13 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDA45_fit1_fit_img.png", "software": null, "chi_square_value": 2.0478, "p_value": 1.3e-05, "fit_residual_plot": "SASDA45_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDA45_fit1.fit", "fit_log": null, "software_version": null, "description": null } ], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": null, "i0_calibration_standard": null, "description": null, "experiment_description": null, "tags": [ "X33" ], "intensity_unit": null, "experimental_mw": 330.0, "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": 26.8, "guinier_i0_error": null, "pddf_rg": 5.4, "pddf_rg_error": null, "guinier_rg": 5.4, "guinier_rg_error": null, "pddf_dmax": 16.5, "pddf_dmax_error": null, "porod_volume": 540.0, "porod_volume_error": null, "estimated_volume": 667.0, "estimated_volume_error": null, "guinier_point_first": 14, "guinier_point_last": 44, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDA45_datloglog_img.png", "symmetry": null, "last_modified": "2023-05-25T11:21:52.654103+02:00", "bragg_peak": [] }