查看完整 summary.json 原文
{
"code": "SASDE94",
"status": "Published",
"type_of_curve": "SEC-SAS",
"angular_unit": "1/nm",
"project": {
"title": "Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes.",
"publication": {
"title": "Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes.",
"author_list": "Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA",
"journal": "Angew Chem Int Ed Engl",
"doi": "10.1002/anie.201810470",
"pmid": "30605929",
"published_date": "2019 Jan 3"
},
"status": "released",
"submitted_date": "2018-09-06",
"released_date": "2019-01-08"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDE94.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDE94.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE94_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE94_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDE94_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE94_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDE94.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": "Tryparedoxin I109A",
"short_name": null,
"sequence": "GSGLAKYLPGATNLLSKSGEVSLGSLVGKTVFLYFSASWCPPCRG\r\nFTPVLAEFYEKHHVAKNFEVVLISWDENESDFHDYYGKMPWLALPFDQRSTVSELGKTFG\r\nVESAPTLITINADTGAIIGTQARTRVIEDPDGANFPWPN",
"organism": "Trypanosoma brucei brucei",
"uniprot_code": "O77404",
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "monomer",
"molecular_type": "protein",
"uniprot_sequence": "MSGLAKYLPGATNLLSKSGEVSLGSLVGKTVFLYFSASWCPPCRGFTPVLAEFYEKHHVA\nKNFEVVLISWDENESDFHDYYGKMPWLALPFDQRSTVSELGKTFGVESIPTLITINADTG\nAIIGTQARTRVIEDPDGANFPWPN",
"mw": 15.775,
"total_mw": 15.775,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
"buffer": {
"name": "10 mM HEPES pH 7.5, 50 mM NaCl",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.5,
"deuteration": null
},
"purity_method": null,
"name": "Tryparedoxin I109A, reduced state",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": "EMBL",
"address": "Grenoble, France",
"full_name": "European Molecular Biology Laboratory (EMBL) - Grenoble Outstation",
"webpage": "https://www.embl.fr/"
}
],
"contributor_name": "Martha",
"contributor_surname": "Brennich",
"orcid": null
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2018-05-31",
"storage_temperature": 20.0,
"cell_temperature": 20.0,
"exposure_time": 1.0,
"number_of_frames": null,
"wavelength": 0.099,
"sample_detector_distance": 2.869,
"concentration_min": null,
"concentration_max": null,
"sample_volume": null,
"flow_rate": null,
"s_min": 0.037,
"s_max": 4.928,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDE94_fit1_model1_img.png",
"software": "PDB (Protein Data Bank)",
"pdb_link": [
{
"pdb_code": "6gxy",
"ext_code": "6GXY",
"ext_type": "pdb",
"difference_with_model": "identical"
}
],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDE94_fit1_model1.pdb",
"model_mw": 31.77,
"bead_radius": null,
"log": null,
"symmetry": null,
"comment": null,
"user": 119
},
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDE94_fit1_model2_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/SASDE94_fit1_model2.pdb",
"model_mw": 15.88,
"bead_radius": null,
"log": null,
"symmetry": null,
"comment": null,
"user": 119
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/TpxI109Ared_930_950_crp_fit_img.png",
"software": "OLIGOMER",
"chi_square_value": 1.18,
"p_value": 0.389658,
"fit_residual_plot": "TpxI109Ared_930_950_crp_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDE94_fit1.fit",
"fit_log": null,
"software_version": null,
"description": "Fit to mixture of crystallographic monomer and dimer: 97.5% monomer"
}
],
"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
"pddf_software_version": "5.0",
"i0_calibration_standard": null,
"description": "SEC column type: GE Healthcare S75 3.2/300; Sample Injection Concentration = 10 mg/mL;\r\nColumn flow-rate = 0.1 mL/min.",
"experiment_description": "Synchrotron SAXS data from solutions of Tryparedoxin I109A, reduced state in 10 mM HEPES pH 7.5, 50 mM NaCl, pH 7.5 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Dectris Pilatus 1M detector at a sample-detector distance of 2.9 m and at a wavelength of λ = 0.099 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). The data were collected using in-line size exclusion chromatography (SEC)-SAXS at 20°C.",
"tags": [],
"intensity_unit": null,
"experimental_mw": 14.5,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": 14.5,
"porod_mw_error": null,
"pddf_i0": 2.633,
"pddf_i0_error": null,
"guinier_i0": 2.62,
"guinier_i0_error": 0.01,
"pddf_rg": 1.627,
"pddf_rg_error": null,
"guinier_rg": 1.58,
"guinier_rg_error": 0.04,
"pddf_dmax": 6.0,
"pddf_dmax_error": null,
"porod_volume": 24.56,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 29,
"guinier_point_last": 166,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDE94_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
{
"code": "SASDE94",
"status": "success",
"started_at": "2026-08-11T14:16:40.281070+00:00",
"finished_at": "2026-08-11T14:16:50.346588+00:00",
"source_last_modified": "2019-12-06T13:07:15.624532+01:00",
"files": [
{
"status": "downloaded",
"url": "https://www.sasbdb.org/rest-api/entry/summary/SASDE94/",
"path": "/data/saxsdb/sasbdb/entries/94/sasde94/source/summary.json",
"size": 7989,
"sha256": "860fd85ed61bb28811b1852000d07829ffe82d70cd0a68cea2838935af68d7b1"
},
{
"status": "downloaded",
"url": "https://www.sasbdb.org/media/intensities_files/SASDE94.dat",
"path": "/data/saxsdb/sasbdb/entries/94/sasde94/source/SASDE94.dat",
"size": 49857,
"sha256": "2ca854bb39d5e9556286f9f740960d265a61c37f6ca1d172b8699d0176f8325a",
"role": "curve"
},
{
"status": "downloaded",
"url": "https://www.sasbdb.org/media/p_of_R_files/SASDE94.out",
"path": "/data/saxsdb/sasbdb/entries/94/sasde94/source/SASDE94.out",
"size": 73008,
"sha256": "a101fc3c49a1d1c98344eac268da40e6ca9ed68f449a452511c71917b8aaa61d",
"role": "pddf"
},
{
"status": "downloaded",
"url": "https://www.sasbdb.org/media/sascif/sascif_files/SASDE94.sascif",
"path": "/data/saxsdb/sasbdb/entries/94/sasde94/source/SASDE94.sascif",
"size": 544096,
"sha256": "c43b295ee2f751fc31cb9985e64a877909d12a60f594535fd5b3b0c2d86bebb3",
"role": "sascif"
},
{
"status": "downloaded",
"url": "https://www.sasbdb.org/media/zip_directories/SASDE94.zip",
"path": "/data/saxsdb/sasbdb/entries/94/sasde94/source/SASDE94.zip",
"size": 120863,
"sha256": "b091716289b0b7d0d0ce11bbd911aa42cf285c9d6e423023f19ecc075dc7b95e",
"role": "full_entry_zip",
"zip_member_count": 5,
"zip_validation": "central_directory_readable"
}
]
}
