查看完整 summary.json 原文
{
"code": "SASDVD2",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/nm",
"project": {
"title": "Hemoglobin–PEG Interactions Probed by Small-Angle X-ray Scattering: Insights for Crystallization and Diagnostics Applications",
"publication": {
"title": "Hemoglobin–PEG Interactions Probed by Small-Angle X-ray Scattering: Insights for Crystallization and Diagnostics Applications",
"author_list": "Baranova I, Angelova A, Stransky J, Andreasson J, Angelov B",
"journal": "The Journal of Physical Chemistry B",
"doi": "10.1021/acs.jpcb.4c03003",
"pmid": null,
"published_date": "2024 Sep 09"
},
"status": "released",
"submitted_date": "2024-05-28",
"released_date": "2024-09-10"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDVD2.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDVD2.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVD2_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVD2_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDVD2_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVD2_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDVD2.sascif",
"experiment": {
"instrument": {
"detector": {
"type": null,
"name": "Eiger R 1M",
"resolution": 0.75
},
"name": "Institute of Biotechnology, Czech Academy of Sciences/Centre of Molecular Structure",
"city": "Vestec",
"country": "Czech Republic",
"beamline_name": "Anton Paar SAXSpoint 2.0",
"beam_geometry": null,
"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": "Hemoglobin subunit alpha",
"short_name": "human HbA",
"sequence": "VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHG\r\nKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTP\r\nAVHASLDKFLASVSTVLTSKYR",
"organism": "Homo sapiens",
"uniprot_code": "P69905",
"uniprot_range_first": 2,
"uniprot_range_last": 142,
"oligomerization": "monomer",
"molecular_type": "protein",
"uniprot_sequence": "MVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHG\nKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTP\nAVHASLDKFLASVSTVLTSKYR",
"mw": 15.126,
"total_mw": 15.126,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": ""
},
{
"long_name": "Hemoglobin subunit beta",
"short_name": "human HbB",
"sequence": "VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPK\r\nVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFG\r\nKEFTPPVQAAYQKVVAGVANALAHKYH",
"organism": "Homo sapiens",
"uniprot_code": "P68871",
"uniprot_range_first": 2,
"uniprot_range_last": 147,
"oligomerization": "monomer",
"molecular_type": "protein",
"uniprot_sequence": "MVHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPK\nVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFG\nKEFTPPVQAAYQKVVAGVANALAHKYH",
"mw": 15.867,
"total_mw": 15.867,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": ""
},
{
"long_name": "Protoporphyrin IX containing fe",
"short_name": "Heme B, Haem B",
"sequence": "C34H32FeN4O4",
"organism": null,
"uniprot_code": null,
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "monomer",
"molecular_type": "other",
"uniprot_sequence": "",
"mw": 0.616,
"total_mw": 0.616,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": "CAS: 104244-10-2\r\n\r\nECSA: 600-546-5\r\n\r\nIUPAC: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)"
}
],
"buffer": {
"name": "100mM Sodium Phosphate buffer with 5% (w/v) PEG4000",
"concentration_unit": null,
"comment": "5% (w/v) PEG4000 is the final concentration.",
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.0,
"deuteration": null
},
"purity_method": null,
"name": "Human Haemoglobin (Sigma-Aldrich) with 5% (w/v) PEG4000 in 100mM Sodium Phosphate buffer, pH=7.0, c=5mg/ml",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": null,
"full_name": "The Extreme Light Infrastructure ERIC",
"webpage": null
}
],
"contributor_name": "Iuliia",
"contributor_surname": "Baranova",
"orcid": "https://orcid.org/0009-0003-2262-2054"
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2022-10-06",
"storage_temperature": 23.0,
"cell_temperature": 20.0,
"exposure_time": 30.0,
"number_of_frames": 30,
"wavelength": 1.34,
"sample_detector_distance": 0.8256,
"concentration_min": null,
"concentration_max": 5.0,
"sample_volume": 500.0,
"flow_rate": 0.7,
"s_min": 0.083,
"s_max": 3.997,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [],
"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
"pddf_software_version": "5.0",
"i0_calibration_standard": null,
"description": "Experimental molecular weight: Size&Shape value from PRIMUS was used.",
"experiment_description": null,
"tags": [],
"intensity_unit": "1/cm",
"experimental_mw": 59.0,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": 60.7,
"porod_mw_error": null,
"pddf_i0": 0.09595,
"pddf_i0_error": 0.0004,
"guinier_i0": 0.0971725,
"guinier_i0_error": null,
"pddf_rg": 2.318,
"pddf_rg_error": 0.008,
"guinier_rg": 2.388,
"guinier_rg_error": 0.026,
"pddf_dmax": 6.12,
"pddf_dmax_error": null,
"porod_volume": 90.5,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 11,
"guinier_point_last": 80,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDVD2_datloglog_img.png",
"symmetry": null,
"last_modified": "2024-10-24T13:24:24.520562+02:00",
"bragg_peak": []
}
查看完整 manifest.json 原文
{
"code": "SASDVD2",
"status": "success",
"started_at": "2026-08-11T13:36:32.828413+00:00",
"finished_at": "2026-08-11T13:36:40.376388+00:00",
"source_last_modified": "2024-10-24T13:24:24.520562+02:00",
"files": [
{
"status": "downloaded",
"url": "https://www.sasbdb.org/rest-api/entry/summary/SASDVD2/",
"path": "/data/saxsdb/sasbdb/entries/d2/sasdvd2/source/summary.json",
"size": 7585,
"sha256": "e3bc871441aa8881db684ec1e17275b88666ad5a8c7e5e4d4b5095fa90ddd6c2"
},
{
"status": "downloaded",
"url": "https://www.sasbdb.org/media/intensities_files/SASDVD2.dat",
"path": "/data/saxsdb/sasbdb/entries/d2/sasdvd2/source/SASDVD2.dat",
"size": 32749,
"sha256": "f2f3cd023aa0b847a027ffc8e25cd619161165b1640a019a5142985c2f936efe",
"role": "curve"
},
{
"status": "downloaded",
"url": "https://www.sasbdb.org/media/p_of_R_files/SASDVD2.out",
"path": "/data/saxsdb/sasbdb/entries/d2/sasdvd2/source/SASDVD2.out",
"size": 43314,
"sha256": "dce3d41aac979a358d5ee16dd2cfc363324e472cc36fed0b08a5b3ce784ce5e6",
"role": "pddf"
},
{
"status": "not_available",
"url": "https://www.sasbdb.org/media/sascif/sascif_files/SASDVD2.sascif",
"path": "/data/saxsdb/sasbdb/entries/d2/sasdvd2/source/SASDVD2.sascif",
"role": "sascif"
},
{
"status": "downloaded",
"url": "https://www.sasbdb.org/media/zip_directories/SASDVD2.zip",
"path": "/data/saxsdb/sasbdb/entries/d2/sasdvd2/source/SASDVD2.zip",
"size": 21670,
"sha256": "0edd81681982192e0cbab794e47ea10b4b901f3f435df92a7004a98a7da6738a",
"role": "full_entry_zip",
"zip_member_count": 2,
"zip_validation": "central_directory_readable"
}
]
}