查看完整 summary.json 原文
{
"code": "SASDYY2",
"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/SASDYY2.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDYY2.txt",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYY2_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYY2_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDYY2_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYY2_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDYY2.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": "PBS buffer, 137 mM NaCl, 8.2 mM Na2HPO4, 2.6 mM KCl, 1.5 mM KH2PO4",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.4,
"deuteration": null
},
"purity_method": null,
"name": "IgA1 dimer - Patient B",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": "London, UK",
"full_name": "University College London",
"webpage": "https://www.ucl.ac.uk/"
}
],
"contributor_name": "Jayesh",
"contributor_surname": "Bhatt",
"orcid": "https://orcid.org/0000-0001-9265-755X"
}
],
"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/SASDYY2_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/SASDYY2_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/SASDYY2_fit1_fixed_fit_img.png",
"software": "Other",
"chi_square_value": null,
"p_value": 0.0,
"fit_residual_plot": "fit4columns8688_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDYY2_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": 317.0,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": null,
"porod_mw_error": null,
"pddf_i0": 1.037,
"pddf_i0_error": null,
"guinier_i0": 1.0,
"guinier_i0_error": null,
"pddf_rg": 9.15,
"pddf_rg_error": null,
"guinier_rg": 8.407,
"guinier_rg_error": 0.043,
"pddf_dmax": 35.0,
"pddf_dmax_error": null,
"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": "SASDYY2_datloglog_img.png",
"symmetry": null,
"last_modified": "2026-05-27T14:18:49.364533+02:00",
"bragg_peak": []
}查看完整 manifest.json 原文
{
"code": "SASDYY2",
"status": "success",
"started_at": "2026-08-11T13:49:42.726628+00:00",
"finished_at": "2026-08-11T13:49:53.816120+00:00",
"source_last_modified": "2026-05-27T14:18:49.364533+02:00",
"files": [
{
"status": "downloaded",
"url": "https://www.sasbdb.org/rest-api/entry/summary/SASDYY2/",
"path": "/data/saxsdb/sasbdb/entries/y2/sasdyy2/source/summary.json",
"size": 7898,
"sha256": "0956521b172f5ddaa1fc66252a5ef9240ea9fecb7342b331bdaa997e2b9c7d3a"
},
{
"status": "downloaded",
"url": "https://www.sasbdb.org/media/intensities_files/SASDYY2.txt",
"path": "/data/saxsdb/sasbdb/entries/y2/sasdyy2/source/SASDYY2.dat",
"size": 14504,
"sha256": "251e46832574c6c7a03eb9ffdd8b0a881d9e6c76b4c2475304a40eb6b5d31be8",
"role": "curve"
},
{
"status": "downloaded",
"url": "https://www.sasbdb.org/media/p_of_R_files/SASDYY2.out",
"path": "/data/saxsdb/sasbdb/entries/y2/sasdyy2/source/SASDYY2.out",
"size": 28884,
"sha256": "7e3cf64f53366fe6fed2263f4822519d97d98a9ba1defdc30bb90afcfcbf9a8b",
"role": "pddf"
},
{
"status": "not_available",
"url": "https://www.sasbdb.org/media/sascif/sascif_files/SASDYY2.sascif",
"path": "/data/saxsdb/sasbdb/entries/y2/sasdyy2/source/SASDYY2.sascif",
"role": "sascif"
},
{
"status": "downloaded",
"url": "https://www.sasbdb.org/media/zip_directories/SASDYY2.zip",
"path": "/data/saxsdb/sasbdb/entries/y2/sasdyy2/source/SASDYY2.zip",
"size": 406413,
"sha256": "cd12b0c901913a4ce98d869c255795f80fa33a87d176ba8c2771dd21d9bc179c",
"role": "full_entry_zip",
"zip_member_count": 4,
"zip_validation": "central_directory_readable"
}
]
}
