查看完整 summary.json 原文
{
"code": "SASDEE6",
"status": "Published",
"type_of_curve": "SEC-SAS",
"angular_unit": "1/A",
"project": {
"title": "Conformational Flexibility of Ubiquitin-Modified and SUMO-Modified PCNA Shown by Full-Ensemble Hybrid Methods.",
"publication": {
"title": "Conformational Flexibility of Ubiquitin-Modified and SUMO-Modified PCNA Shown by Full-Ensemble Hybrid Methods.",
"author_list": "Powers KT, Lavering ED, Washington MT",
"journal": "J Mol Biol",
"doi": "10.1016/j.jmb.2018.10.017",
"pmid": "30381149",
"published_date": "2018 Dec 7"
},
"status": "released",
"submitted_date": "2018-10-16",
"released_date": "2019-05-09"
},
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"experiment": {
"instrument": {
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"name": "Pilatus3 X 1M",
"resolution": 0.172
},
"name": "Advanced Photon Source (APS), Argonne National Laboratory",
"city": "Lemont, IL",
"country": "USA",
"beamline_name": "BioCAT 18ID",
"beam_geometry": null,
"type_of_source": "X-ray synchrotron",
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"sample": {
"molecule": [
{
"long_name": "Proliferating cell nuclear antigen",
"short_name": "PCNA",
"sequence": "MGSSHHHHHHSQDPMSDSEVNQEAKPEVKPEVKPET\r\nHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQTPEDLD\r\nMEDNDIIEAHREQIGGPGETIKFVADGDIGSGSVIIKPFVDMEHPETSIKLEMDQPVDLT\r\nFGAKYLLDIIKGSSLSDRVGIRLSSEAPALFQFDLKSGFLQFFLAPKFNDEE\r\nMLEAKFE\r\nEASLFKRIIDGFKDCVQLVNFQCKEDGIIAQAVDDSRVLLVSLEIGVEAFQEYRCDHPVT\r\nLGMDLTSLSKILRCGNNTDTLTLIADNTPDSIILLFEDTKKDRIAEYSLKLMDIDADFLK\r\nIEELQYDSTLSLPSSEFSKIVRDLSQLSDSINIMIT",
"organism": "Saccharomyces cerevisiae",
"uniprot_code": "P15873",
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "trimer",
"molecular_type": "protein",
"uniprot_sequence": "MLEAKFEEASLFKRIIDGFKDCVQLVNFQCKEDGIIAQAVDDSRVLLVSLEIGVEAFQEY\nRCDHPVTLGMDLTSLSKILRCGNNTDTLTLIADNTPDSIILLFEDTKKDRIAEYSLKLMD\nIDADFLKIEELQYDSTLSLPSSEFSKIVRDLSQLSDSINIMITKETIKFVADGDIGSGSV\nIIKPFVDMEHPETSIKLEMDQPVDLTFGAKYLLDIIKGSSLSDRVGIRLSSEAPALFQFD\nLKSGFLQFFLAPKFNDEE",
"mw": 41.798,
"total_mw": 125.394,
"number_molecules": 3,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
"buffer": {
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"concentration_unit": null,
"comment": "22C",
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.5,
"deuteration": null
},
"purity_method": null,
"name": "Proliferating cell nuclear antigen - SUMOPCNA - Split Fusion Trimer",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": "Iowa, USA",
"full_name": "University of Iowa Carver College of Medicine",
"webpage": "https://medicine.uiowa.edu/"
}
],
"contributor_name": "Kyle",
"contributor_surname": "Powers",
"orcid": ""
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2018-08-06",
"storage_temperature": 22.0,
"cell_temperature": 22.0,
"exposure_time": 0.5,
"number_of_frames": 320,
"wavelength": 0.1033,
"sample_detector_distance": 3.5,
"concentration_min": 0.0,
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"s_min": 0.055,
"s_max": 3.857,
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},
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{
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{
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"software": "UIOWA_BD",
"pdb_link": [],
"model_title": null,
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"model_mw": null,
"bead_radius": null,
"log": null,
"symmetry": null,
"comment": "One representative PDB from the simulation.",
"user": 377
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/EnsembleSUMO_fit_img.png",
"software": "CRYSOL",
"chi_square_value": 2.581,
"p_value": 0.0,
"fit_residual_plot": "EnsembleSUMO_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDEE6_fit1.fit",
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"software_version": "2.7.2",
"description": "This is a fit derived from 10,000 crysol fit calculations using full simulation ensemble. The log file is reflective of this including all of the individual crysol calculations."
}
],
"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
"pddf_software_version": "5.0",
"i0_calibration_standard": null,
"description": null,
"experiment_description": "Synchrotron SAXS data were collected using size-exclusion chromatography SAXS (SEC-SAXS) on the BioCAT 18-ID beam line at the Advanced Photon Source (APS), Argonne National Laboratory (Lemont, IL, USA). Data were acquired using a reverse-biased silicon diode array Pilatus3 1M detector at a sample-detector distance of 3.5 m and at a wavelength of λ = 0.1033 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Poly-histidine tagged SUMO-proliferating cell nuclear antigen (SUMOPCNA) was measured as a split fusion protein (PCNA (1-163, His-SUMO-165-258) at a sample injection concentration of 32.5 mg/ml at 22°C using a Wyatt Technology WTC-030S5 (SN 0787), WTC - 015 S5 column with a sample injection volume of 500μL sample at a flow-rate of 0.9 mL/min. The mobile phase was 20 mM Tris, 150 mM NaCl, 5% glycerol, 1 mM TCEP, pH 7.5. 320 successive 0.500 second SAXS data frames were collected through the SEC-elution profile that underwent appropriate date reduction, background correction (buffer subtraction) scaling and averaging to generate the profile displayed in this entry. The model represents a one state from an ensemble trajectory of SUMO-modified PCNA. The full ensemble is included in the full-entry zip archive (ca. 300 MB).",
"tags": [],
"intensity_unit": "arbitrary",
"experimental_mw": 125.4,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": 194.0,
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"pddf_i0": 326.4,
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"guinier_i0": 324.9,
"guinier_i0_error": 0.5,
"pddf_rg": 4.65,
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"guinier_rg_error": 0.08,
"pddf_dmax": 16.92,
"pddf_dmax_error": null,
"porod_volume": 310.0,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 7,
"guinier_point_last": 74,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDEE6_datloglog_img.png",
"symmetry": null,
"last_modified": "2019-12-06T13:07:15.624532+01:00",
"bragg_peak": []
}查看完整 manifest.json 原文
{
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"started_at": "2026-08-11T15:07:49.259772+00:00",
"finished_at": "2026-08-11T15:10:24.351638+00:00",
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