{ "code": "SASDB85", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/nm", "project": { "title": "Self-processing module of Iron-regulated protein FrpC", "publication": null, "status": "released", "submitted_date": "2016-08-16", "released_date": "2021-09-13" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDB85.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDB85.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDB85_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDB85_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDB85_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDB85_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDB85.sascif", "experiment": { "instrument": { "detector": { "type": null, "name": "Pilatus 100K", "resolution": 172.0 }, "name": "CEITEC", "city": "Brno", "country": "Czech Republic", "beamline_name": "Rigaku BioSAXS-1000", "beam_geometry": "", "type_of_source": "X-ray in house", "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-regulated protein FrpC (amino acids 415-591)", "short_name": "FrpC:415-591", "sequence": "PLALDLDGDGIETVATKGFSGSLFDHNRDGIRTATGWVSADDGLLVRDLNGNGIIDNGAELF\r\nGDNTKLADGSFAKHGYAALAELDSNGDNIINAADAAFQSLRVWQDLNQDGISQANELRTL\r\nEELGIQSLDLAYKDVNKNLGNGNTLAQQGSYTKTNGTTAKMGDLLLAADNLHSRFLE", "organism": "Neisseria meningitidis", "uniprot_code": "Q9JYV5", "uniprot_range_first": 415, "uniprot_range_last": 591, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MNEGEVVLTPEQIQTLRGYASRGDTYGGWRYLANLGDRYADDAAAIVGKDANLNGLNLWM\nKKGVENLWDDTVGKKTRLEKFDRVALQHFRQYARLINQNNGRLPNTSEIERSYYKAVTDN\nGVSSSAAIDLVINRSLPDMADGYWALGLGIEAERIHNEQAVNNPNGSERDNRKQLISALD\nKGFDGSFKEKHFTFLQSVMMDVTKLGVEYTIDGWQKIGGWGNGIINDLYKSVVKREWTGI\nFEIVNNNIKQGNEAFKNEINSLVHDMKAAGKEFGDDLNTQWNNLTQAAEIIYNDIVDNTS\nQGIEKGVKAIKELSEKMKNAASDLADGSAEKAKQVVEDLAQAAKEAYENAKSTAEKAAQA\nAREFFKGLPSFKDLAEKFRDLFPNPEGWIDDGHQCLAPWVKETKKRNGKYHVYDPLALDL\nDGDGIETVATKGFAGSLFDHTNNGIRTATGWVSADDGLLVRDLNGNGIIDNGAELFGDNT\nKLADGSFAKHGYAALAELDSNGDNIINAADAAFQTLRVWQDLNQDGISQANELRTLEELG\nIQSLDLAYKDVNKNLGNGNTLAQQGSYTKTDGTTAKMGDLLLAADNLHSRFKDKVELTAE\nQAKAANLAGIGRLRDLREAAALSGDLANMLKAYSAAETKEAQLALLDNLIHKWAETDSNW\nGKKSPMRLSTDWTQTANEGIALTPSQVAQLKKNALVSLSDKAKAAIDAARDRIAVLDAYT\nGQDSNTLYYMSEEDALNIVKVTNDTYDHLAKNIYQNLLFQTRLQPYLNQISFKMENDTFT\nLDFSGLVQAFNHVKETNPQKAFVDLAEMLAYGELRSWYEGRRLMTDYVEEAKKAGKFEDY\nQKVLGQETVALLAKTSGTQADDILQNVGFGHNKNVSLYGNDGNDTLIGGAGNDYLEGGSG\nSDTYVFGEGFGQDTVYNYDYATGRKDIIRFTDGITADMLTFTREGNHLLIKAKDGSGQVT\nVQSYFQNDGSGAYRIDEIHFDNGKVLDVATVKELVQQSTDGSDRLYAYQSGNTLNGGLGD\nDYLYGADGDDLLNGDAGNDSIYSGNGNDTLDGGEGNDALYGYNGNDALNGGEGNDHLNGE\nDGNDTLIGGAGNDYLEGGSGSDTYVFGKGFGQDTVYNYDYATGRKDIIRFTDGITADMLT\nFTREGNHLLIKAKDGSGQVTVQYYFQNDGSGAYRIDEIHFDNGKVLDVATVKELVQQSTD\nGSDRLYAYQSGNTLNGGLGDDYLYGADGDDLLNGDAGNDSIYSGNGNDTLDGGEGNDALY\nGYNGNDALNGGEGNDHLNGEDGNDTLIGGAGNDYLEGGSGSDTYVFGKGFGQDAVYNYDY\nATGRKDIIRFTDGITADMLTFTREGNHLLIKAKDGSGQVTVQSYFQNDGSGAYRIDEIHF\nDNGKVLDVATVKELVQQSTDGSDRLYAYQSGNTLNGGLGDDYLYGADGDDLLNGDAGNDS\nIYSGNGNDTLNGGEGNDALYGYNGNDALNGGEGNDHLNGEDGNDTLIGGAGNDYLEGGSG\nSDTYVFGKGFGQDAVYNYDYATGRKDIIRFTDGITADMLTFTREGNHLLIKAKDGSGQVT\nVQSYFQNDGSGAYRIDEIHFDNGKVLDVATVKELVQQSTDGSDRLYAYQSGSTLNGGLGD\nDYLYGADGDDLLNGDAGNDSIYSGNGNDTLDGGEGNDALYGYNGNDALNGGEGNDHLNGE\nDGNDTLIGGAGNDYLEGGSGSDTYVFGEGFGQDTVYNYHVDKNSDTMHFKGFKAADVHFI\nRSGSDLVLSASEQDNVRISGFFYGENHRVDTFVFDDAAISNPDFAKYINAGNNLVQSMSV\nFGSNTAATGGNVDANIQSVQQPLLVTPSA", "mw": 18.698, "total_mw": 18.698, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "5 mM Tris 50 mM NaCl 10 mM CaCl2 0.1% NaN3", "concentration_unit": "mM", "comment": null, "additive": "50 mM NaCl, 10 mM CaCl2, 0.1% NaN3", "concentration": 5.0, "pka": null, "ph": 7.4, "deuteration": null }, "purity_method": null, "name": "Self-processing module of iron-regulated protein FrpC (415-591)", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": "MUNI", "address": "Brno, Czech Republic", "full_name": "Masaryk University; \tResearch group Structure and Dynamics of Proteins.", "webpage": "https://www.muni.cz/" } ], "contributor_name": "Vojtěch", "contributor_surname": "Kubáň", "orcid": null } ], "concentration_method": null, "concentration_unit": "mg/ml", "date": "2013-10-03", "storage_temperature": 30.0, "cell_temperature": 30.0, "exposure_time": 600.0, "number_of_frames": 4, "wavelength": 0.1542, "sample_detector_distance": null, "concentration_min": 1.25, "concentration_max": 5.0, "sample_volume": null, "flow_rate": null, "s_min": 0.08, "s_max": 4.99, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDB85_fit1_model1_img.png", "software": "Other", "pdb_link": [], "model_title": null, "type_of_model": "atomic", "software_version": null, "model_data": "https://www.sasbdb.org/media/pdb_file/SASDB85_fit1_model1.pdb", "model_mw": 382.8, "bead_radius": 1.9, "log": null, "symmetry": null, "comment": null, "user": 146 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDB85_fit1_fixed_fit_img.png", "software": null, "chi_square_value": 1.9419, "p_value": 0.00062, "fit_residual_plot": "SASDB85_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDB85_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": "In-house small-angle X-ray scattering data from solutions of iron-regulated protein FrpC (amino acids 415-591) in 5 mM Tris 50 mM NaCl, 10 mM CaCl2, 0.1% NaN3, pH 7.4 were collected using a Rigaku BioSAXS-1000 SAXS instrument (I(s) vs s; s = 4π sin θ/λ, where 2θ is the scattering angle and λ=0.154 nm). Different solute concentrations in the range 1.25-5.00 mg/ml were measured. Four successive 600 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted and the different curves were scaled for protein concentration. The low angle data collected were obtained from a single concentration scattering curve.", "tags": [], "intensity_unit": null, "experimental_mw": 18.4, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": null, "porod_mw_error": null, "pddf_i0": 0.1355, "pddf_i0_error": 0.0005, "guinier_i0": 0.14, "guinier_i0_error": 0.0007, "pddf_rg": 1.643, "pddf_rg_error": 0.005, "guinier_rg": 1.7, "guinier_rg_error": 0.05, "pddf_dmax": 4.51, "pddf_dmax_error": null, "porod_volume": 20.5, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 16, "guinier_point_last": 47, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDB85_datloglog_img.png", "symmetry": null, "last_modified": "2021-09-13T16:54:31.604815+02:00", "bragg_peak": [] }