查看完整 summary.json 原文
{
"code": "SASDEF5",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/nm",
"project": {
"title": "Crystal structure of a xylulose 5-phosphate phosphoketolase. insights into the substrate specificity for xylulose 5-phosphate.",
"publication": {
"title": "Crystal structure of a xylulose 5-phosphate phosphoketolase. insights into the substrate specificity for xylulose 5-phosphate.",
"author_list": "Scheidig AJ, Horvath D, Szedlacsek SE",
"journal": "J Struct Biol",
"doi": "10.1016/j.jsb.2019.04.017",
"pmid": "31059775",
"published_date": "2019 May 3"
},
"status": "released",
"submitted_date": "2018-09-30",
"released_date": "2019-05-08"
},
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"experiment": {
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"name": "Pilatus 2M",
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},
"name": "PETRA III",
"city": "DESY; Hamburg",
"country": "Germany",
"beamline_name": "EMBL P12",
"beam_geometry": null,
"type_of_source": "X-ray synchrotron",
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"sample": {
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{
"long_name": "Probable phosphoketolase",
"short_name": null,
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"organism": "Lactococcus lactis subsp. lactis",
"uniprot_code": "Q9CFH4",
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "dimer",
"molecular_type": "protein",
"uniprot_sequence": "MTEYNSEAYLKKLDKWWRAATYLGAGMIFLKENPLFSVTGTPIKAENLKANPIGHWGTVS\nGQTFLYAHANRLINKYDQKMFYMGGPGHGGQAMVVPSYLDGSYTEAYPEITQDLEGMSRL\nFKRFSFPGGIGSHMTAQTPGSLHEGGELGYVLSHATGAILDQPEQIAFAVVGDGEAETGP\nLMTSWHSIKFINPKNDGAILPILDLNGFKISNPTLFARTSDVDIRKFFEGLGYSPRYIEN\nDDIHDYMAYHKLAAEVFDKAIEDIHQIQKDAREDNRYQNGEIPAWPIVIARLPKGWGGPR\nYNDWSGPKFDGKGMPIEHSFRAHQVPLPLSSKNMGTLPEFVKWMTSYQPETLFNADGSLK\nEELRDFAPKGEMRMASNPVTNGGVDSSNLVLPDWQEFANPISENNRGKLLPDTNDNMDMN\nVLSKYFAEIVKLNPTRFRLFGPDETMSNRFWEMFKVTNRQWMQVIKNPNDEFISPEGRII\nDSQLSEHQAEGWLEGYTLTGRTGAFASYESFLRVVDSMLTQHFKWIRQAADQKWRHDYPS\nLNVISTSTVFQQDHNGYTHQDPGMLTHLAEKKSDFIRQYLPADGNTLLAVFDRAFQDRSK\nINHIVASKQPRQQWFTKEEAEKLATDGIATIDWASTAKDGEAVDLVFASAGAEPTIETLA\nALHLVNEVFPQAKFRYVNVVELGRLQKKKGALNQERELSDEEFEKYFGPSGTPVIFGFHG\nYEDLIESIFYQRGHDGLIVHGYREDGDITTTYDMRVYSELDRFHQAIDAMQVLYVNRKVN\nQGLAKAFIDRMKRTLVKHFEVTRNEGVDIPDFTEWVWSDLKK",
"mw": 95.727,
"total_mw": 191.454,
"number_molecules": 2,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
"buffer": {
"name": "20mM potassium phosphate 150mM NaCl 0.007 %(w/v) β-octyl glucoside 1mM DTT 1mM MgCl 1mM thiaminpyrophosphate 2 %(v/v) glycerol",
"concentration_unit": null,
"comment": "SEC11 buffer",
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.0,
"deuteration": null
},
"purity_method": null,
"name": "Phosphoketolase (L. lactis) with 1 mM thiaminpyrophosphate and 2% v/v glycerol at pH 7.0",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": "Germany",
"full_name": "Kiel University",
"webpage": "https://www.uni-kiel.de"
}
],
"contributor_name": "Axel",
"contributor_surname": "Scheidig",
"orcid": "https://orcid.org/0000-0002-2382-8818"
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2017-09-07",
"storage_temperature": 20.0,
"cell_temperature": 20.0,
"exposure_time": 0.045,
"number_of_frames": 29,
"wavelength": 0.124,
"sample_detector_distance": 3.0,
"concentration_min": null,
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"sample_volume": null,
"flow_rate": null,
"s_min": 0.025,
"s_max": 5.064,
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"seccolumn": null
},
"fits": [
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{
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"software": "PDB (Protein Data Bank)",
"pdb_link": [
{
"pdb_code": "6gua",
"ext_code": "6GUA",
"ext_type": "pdb",
"difference_with_model": "derived"
}
],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDEF5_fit1_model1.pdb",
"model_mw": 186.9,
"bead_radius": null,
"log": null,
"symmetry": "P2",
"comment": "PDB-ID 6GUA is a tetramer of dimers; the dimer is supposed to be the biological assembly in solution",
"user": 366
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/pk7_ref82_AB_fit_img.png",
"software": "CRYSOL",
"chi_square_value": 3.244,
"p_value": 0.0,
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"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDEF5_fit1.fit",
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"software_version": null,
"description": ""
},
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"type_of_model": "atomic",
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"log": "https://www.sasbdb.org/media/log_files/PKLl2mop.log",
"symmetry": "P1",
"comment": null,
"user": 366
}
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"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/PKLl2mop-1_fit_img.png",
"software": "SASREF",
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"fit_residual_plot": "PKLl2mop-1_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDEF5_fit2.fit",
"fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/PKLl2mop.log",
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"pddf_software": "ATSAS GNOM",
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"description": null,
"experiment_description": "Synchrotron SAXS data from solutions of phosphoketolase in 20mM potassium phosphate, 150mM NaCl, 0.007 %(w/v) β-octyl glucoside, 1mM DTT, 1mM MgCl2, 1mM thiaminpyrophosphate, 2 % v/v glycerol, pH 7 were collected on the EMBL P12 beam line at the PETRA III storage ring (Hamburg, Germany) using a Pilatus 2M detector at a sample-detector distance of 3 m and at a wavelength of λ = 0.124 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 8.00 mg/ml was measured at 20°C. 29 successive 0.045 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted.",
"tags": [],
"intensity_unit": "1/cm",
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"pddf_i0": 21180.0,
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"estimated_volume": null,
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"guinier_point_first": 34,
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"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDEF5_datloglog_img.png",
"symmetry": null,
"last_modified": "2023-06-21T07:56:39.492710+02:00",
"bragg_peak": []
}
查看完整 manifest.json 原文
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