{ "code": "SASDYW2", "status": "Published", "type_of_curve": "Extrapolated to infinite dilution", "angular_unit": "1/nm", "project": { "title": "Atomistic scattering modelling of the solution structure of human dimeric IgA1 reveals a structural and mechanistic basis for IgA nephropathy.", "publication": { "title": "Atomistic scattering modelling of the solution structure of human dimeric IgA1 reveals a structural and mechanistic basis for IgA nephropathy.", "author_list": "Bhatt JS, Yeo SC, Ireland SM, Ben-Younis A, Gor J, Molyneux K, Barratt J, Perkins SJ", "journal": "J Biol Chem", "doi": "10.1016/j.jbc.2026.113156", "pmid": "42140437", "published_date": "2026 May 14" }, "status": "released", "submitted_date": "2025-11-29", "released_date": "2026-05-27" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDYW2.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDYW2.txt", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYW2_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYW2_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDYW2_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYW2_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDYW2.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": "Human immunoglobulin IgA1", "short_name": "IgA1", "sequence": ">sp|Chains A,L,C,N|Immunoglobulin light chain|Homo sapiens\r\nDIVMTQSPLSLSVTPGEPASISCRSSQSLLRRDGHNDLEWYLQKPGQSPQPLIYLGSTRASGVPDRFSGSGSGTDFTLKIIRVEAEDAGTYYCMQNKQTPLTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC\r\n>sp|Chains B,M,D,O|Immunoglobulin heavy chain|Homo sapiens\r\nEVQLVESGGGLVQPGGSLKLSCAASGFTLSGSNVHWVRQASGKGLEWVGRIKRNAESDATAYAASMRGRLTISRDDSKNTAFLQMNSLKSDDTAMYYCVIRGDVYNRQWGQGTLVTVSSASPTSPKVFPLSLCSTQPDGNVVIACLVQGFFPQEPLSVTWSESGQGVTARNFPPSQDASGDLYTTSSQLTLPATQCLAGKSVTCHVKHYTNPSQDVTVPCPVPSTPPTPSPSTPPTPSPSCCHPRLSLHRPALEDLLLGSEANLTCTLTGLRDASGVTFTWTPSSGKSAVQGPPERDLCGCYSVSSVLPGCAEPWNHGKTFTCTAAYPESKTPLTATLSKSGNTFRPEVHLLPPPSEELALNELVTLTCLARGFSPKDVLVRWLQGSQELPREKYLTWASRQEPSQGTTTFAVTSILRVAAEDWKKGDTFSCMVGHEALPLAFTQKTIDRLAGKPTHVNVSVVMAEVDGTCY\r\n>sp|Chain J|Immunoglobulin joining chain|Homo sapiens\r\nEDERIVLVDNKCKCARITSRIIRSSEDPNEDIVERNIRIIVPLNNRENISDPTSPLRTRFVYHLSDLCKKCDPTEVELDNQIVTATQSNICDEDSATETCYTYDRNKCYTAVVPLVYGGETKMVETALTPDACYPD", "organism": null, "uniprot_code": null, "uniprot_range_first": null, "uniprot_range_last": null, "oligomerization": "dimer", "molecular_type": "protein", "uniprot_sequence": "", "mw": 160.0, "total_mw": 320.0, "number_molecules": 2, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": "" } ], "buffer": { "name": "8.2 mM Na2HPO4, 1.5 mM KH2PO4, 137 mM NaCl, 2.6 mM KCl (PBS)", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 7.4, "deuteration": null }, "purity_method": null, "name": "IgA1 dimer - Control", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [], "concentration_method": null, "concentration_unit": null, "date": "2014-09-07", "storage_temperature": 20.0, "cell_temperature": 20.0, "exposure_time": 1.0, "number_of_frames": 10, "wavelength": 0.09919, "sample_detector_distance": 2.867, "concentration_min": 0.33, "concentration_max": 1.31, "sample_volume": null, "flow_rate": null, "s_min": 0.104, "s_max": 1.502, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDYW2_fit1_model1_img.png", "software": "Custom in-house", "pdb_link": [], "model_title": null, "type_of_model": "mix", "software_version": null, "model_data": "https://www.sasbdb.org/media/pdb_file/SASDYW2_fit1_model1.pdb", "model_mw": 307.5, "bead_radius": 1.9, "log": null, "symmetry": null, "comment": null, "user": 1285 } ], "fit_unit": "1/nm", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDYW2_fit1_fixed_fit_img.png", "software": "Other", "chi_square_value": null, "p_value": 0.0, "fit_residual_plot": "fit4columns8686_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDYW2_fit1.fit", "fit_log": null, "software_version": "SASSIE-web", "description": "Curve fitting was performed using the online SASSIE-web portal: \r\n\r\nhttps://sassie-web.chem.utk.edu/sassie2/\r\n\r\nThe workflow for this atomistic modelling is described in: \r\nPerkins et al., (2016) J. Appl. Cryst. 49(6), 1861-1875. \r\n\r\nThe modelled scattering curve was obtained using the 'golden vector' method, implemented in the SasCalc module in SASSIE-web, and described in: \r\nWatson and Curtis, (2013) J. Appl. Cryst. 46, 1171-1177." } ], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": "4.6", "i0_calibration_standard": null, "description": "CAUTION: Errors associated with the scattering data points are not available.", "experiment_description": null, "tags": [], "intensity_unit": "arbitrary", "experimental_mw": 319.0, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": null, "porod_mw_error": null, "pddf_i0": 1.034, "pddf_i0_error": 0.002352, "guinier_i0": 1.0, "guinier_i0_error": null, "pddf_rg": 9.29, "pddf_rg_error": 0.035, "guinier_rg": 8.651, "guinier_rg_error": 0.034, "pddf_dmax": 35.0, "pddf_dmax_error": 0.0, "porod_volume": null, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 1, "guinier_point_last": 15, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDYW2_datloglog_img.png", "symmetry": null, "last_modified": "2026-05-27T14:18:49.190241+02:00", "bragg_peak": [] }