查看完整 summary.json 原文
{
"code": "SASDCK3",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/A",
"project": {
"title": "High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE.",
"publication": {
"title": "High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE.",
"author_list": "Azmi L, Bragginton EC, Cadby IT, Byron O, Roe AJ, Lovering AL, Gabrielsen M",
"journal": "Acta Crystallogr F Struct Biol Commun",
"doi": "10.1107/S2053230X20010237",
"pmid": "32880589",
"published_date": "2020 Sep 1"
},
"status": "released",
"submitted_date": "2017-05-11",
"released_date": "2017-12-12"
},
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"city": "Didcot",
"country": "UK",
"beamline_name": "B21",
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{
"long_name": "Aldehyde-alcohol dehydrogenase",
"short_name": "AdhE",
"sequence": "MAVTNVAELNALVERVKKAQREYASFTQEQVDKIFRAAALAAADARIPLAKMAVAESGMG\r\nIVEDKVIKNHFASEYIYNAYKDEKTCGVLSEDDTFGTITIAEPIGIICGIVPTTNPTSTA\r\nIFKSLISLKTRNAIIFSPHPRAKDATNKAADIVLQAAIAAGAPKDLIGWIDQPSVELSNA\r\nLMHHPDINLILATGGPGMVKAAYSSGKPAIGVGAGNTPVVIDETADIKRAVASVLMSKTF\r\nDNGVICASEQSVVVVDSVYDAVRERFATHGGYLLQGKELKAVQDVILKNGALNAAIVGQP\r\nAYKIAELAGFSVPENTKILIGEVTVVDESEPFAHEKLSPTLAMYRAKDFEDAVEKAEKLV\r\nAMGGIGHTSCLYTDQDNQPARVSYFGQKMKTARILINTPASQGGIGDLYNFKLAPSLTLG\r\nCGSWGGNSISENVGPKHLINKKTVAHHHHHH",
"organism": "Escherichia coli O157:H7",
"uniprot_code": "P0A9Q8",
"uniprot_range_first": 1,
"uniprot_range_last": 445,
"oligomerization": "monomer",
"molecular_type": "protein",
"uniprot_sequence": "MAVTNVAELNALVERVKKAQREYASFTQEQVDKIFRAAALAAADARIPLAKMAVAESGMG\nIVEDKVIKNHFASEYIYNAYKDEKTCGVLSEDDTFGTITIAEPIGIICGIVPTTNPTSTA\nIFKSLISLKTRNAIIFSPHPRAKDATNKAADIVLQAAIAAGAPKDLIGWIDQPSVELSNA\nLMHHPDINLILATGGPGMVKAAYSSGKPAIGVGAGNTPVVIDETADIKRAVASVLMSKTF\nDNGVICASEQSVVVVDSVYDAVRERFATHGGYLLQGKELKAVQDVILKNGALNAAIVGQP\nAYKIAELAGFSVPENTKILIGEVTVVDESEPFAHEKLSPTLAMYRAKDFEDAVEKAEKLV\nAMGGIGHTSCLYTDQDNQPARVSYFGQKMKTARILINTPASQGGIGDLYNFKLAPSLTLG\nCGSWGGNSISENVGPKHLINKKTVAKRAENMLWHKLPKSIYFRRGSLPIALDEVITDGHK\nRALIVTDRFLFNNGYADQITSVLKAAGVETEVFFEVEADPTLSIVRKGAELANSFKPDVI\nIALGGGSPMDAAKIMWVMYEHPETHFEELALRFMDIRKRIYKFPKMGVKAKMIAVTTTSG\nTGSEVTPFAVVTDDATGQKYPLADYALTPDMAIVDANLVMDMPKSLCAFGGLDAVTHAME\nAYVSVLASEFSDGQALQALKLLKEYLPASYHEGSKNPVARERVHSAATIAGIAFANAFLG\nVCHSMAHKLGSQFHIPHGLANALLICNVIRYNANDNPTKQTAFSQYDRPQARRRYAEIAD\nHLGLSAPGDRTAAKIEKLLAWLETLKAELGIPKSIREAGVQEADFLANVDKLSEDAFDDQ\nCTGANPRYPLISELKQILLDTYYGRDYVEGETAAKKEAAPAKAEKKAKKSA",
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"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
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"concentration_unit": null,
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"concentration": null,
"pka": null,
"ph": 7.5,
"deuteration": null
},
"purity_method": null,
"name": "Aldehyde dehydrogenase",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": "Glasgow, Scotland, UK",
"full_name": "University of Glasgow",
"webpage": "http://www.gla.ac.uk/"
}
],
"contributor_name": "Liyana",
"contributor_surname": "Azmi",
"orcid": null
}
],
"concentration_method": null,
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"date": "2017-01-30",
"storage_temperature": 4.0,
"cell_temperature": 4.0,
"exposure_time": 1.0,
"number_of_frames": 18,
"wavelength": 0.1,
"sample_detector_distance": 4.04,
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"s_min": 0.04,
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},
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"model_mw": 46.2,
"bead_radius": 2.4,
"log": "https://www.sasbdb.org/media/log_files/D1-AdhE1_7.log",
"symmetry": "P1",
"comment": "",
"user": 193
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDCK3_fit1_fixed_fit_img.png",
"software": "DAMMIF",
"chi_square_value": 1.774,
"p_value": 0.4599,
"fit_residual_plot": "SASDCK3_fit1_fitresiduals_img.png",
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"software_version": "",
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{
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"software": "DAMFILT",
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"model_title": null,
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"log": null,
"symmetry": "P1",
"comment": "this is the averaged representation of the model",
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}
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"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDCK3_fit2_fixed_fit_img.png",
"software": "DAMMIF",
"chi_square_value": 1.773,
"p_value": 0.4599,
"fit_residual_plot": "SASDCK3_fit2_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDCK3_fit2.fir",
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"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
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"description": "Aldehyde dehydrogenase (AldDH) is the N-terminal domain of the bifunctional alcohol/aldehyde dehydrogenase (AdhE; SASBDB entry SASDC72) spanning amino acids 1-445 of the full-length protein. SAXS data were measured from a protein construct that included a C-terminal 6 x histidine affinity chromatography tag. The buffer subtraction was performed using Scatter. Subsequent analysis was performed using PRIMUS (ATSAS 2.7.1).",
"experiment_description": "Synchrotron SAXS data from solutions of aldehyde dehydrogenase in 30 mM HEPES, 150 mM NaCl, 5% (v/v) glycerol, pH 7.5 were collected on the B21 camera at the Diamond Light Source (Oxfordshire, UK) using a Pilatus 2M detector at a sample-detector distance of 4.0 m and at a wavelength of λ = 0.1 nm ((Is) vs s, where s = 4πsinθ/λ and 2θ is the scattering angle). One solute concentration of 2.00 mg/ml was measured at 4°C. 18 successive 1 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged and the scattering of the solvent-blank was subtracted to obtain the SAXS profile displayed in this entry.",
"tags": [],
"intensity_unit": null,
"experimental_mw": 46.5,
"experimental_mw_error": null,
"guinier_i0_mw": null,
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"porod_mw": 46.5,
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"pddf_i0": 0.1826,
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"guinier_i0": 0.18,
"guinier_i0_error": 0.00016,
"pddf_rg": 2.74,
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"pddf_dmax": 11.1,
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"porod_volume": 74.0,
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"estimated_volume": null,
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"guinier_point_first": 20,
"guinier_point_last": 182,
"pddf_point_first": null,
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"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDCK3_datloglog_img.png",
"symmetry": null,
"last_modified": "2021-01-04T12:08:43.437315+01:00",
"bragg_peak": []
}查看完整 manifest.json 原文
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