查看完整 summary.json 原文
{
"code": "SASDX62",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/A",
"project": {
"title": "Structural enzymological studies of the long chain fatty acyl-CoA synthetase FadD5 from the mce1 operon of Mycobacterium tuberculosis.",
"publication": {
"title": "Structural enzymological studies of the long chain fatty acyl-CoA synthetase FadD5 from the mce1 operon of Mycobacterium tuberculosis.",
"author_list": "Rahman MA, Dalwani S, Venkatesan R",
"journal": "Biochem Biophys Res Commun",
"doi": "10.1016/j.bbrc.2025.151960",
"pmid": "40347623",
"published_date": "2025 May 9"
},
"status": "released",
"submitted_date": "2025-03-06",
"released_date": "2025-03-07"
},
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"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX62_dat_img.png",
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"experiment": {
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"detector": {
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"name": "Eiger 4M",
"resolution": 75.0
},
"name": "Diamond Light Source",
"city": "Didcot",
"country": "UK",
"beamline_name": "B21",
"beam_geometry": null,
"type_of_source": "X-ray synchrotron",
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"line_collimation_integrationwidth": null,
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},
"sample": {
"molecule": [
{
"long_name": "Probable fatty-acid-CoA ligase FadD5 (Fatty-acid-CoA synthetase) (Fatty-acid-CoA synthase)",
"short_name": "FadD5",
"sequence": "MGSSHHHHHHSQDPNSMTAQLASHLTRALTLAQQQPYLARRQNWVNQLERHAMMQPDAPALRFVGNTMTWADLRRRVAALAGALSGRGVGFGDRVMILMLNRTEFVESVLAANMIGAIAVPLNFRLTPTEIAVLVEDCVAHVMLTEAALAPVAIGVRNIQPLLSVIVVAGGSSQDSVFGYEDLLNEAGDVHEPVDIPNDSPALIMYTSGTTGRPKGAVLTHANLTGQAMTALYTSGANINSDVGFVGVPLFHIAGIGNMLTGLLLGLPTVIYPLGAFDPGQLLDVLEAEKVTGIFLVPAQWQAVCTEQQARPRDLRLRVLSWGAAPAPDALLRQMSATFPETQILAAFGQTEMSPVTCMLLGEDAIAKRGSVGRVIPTVAARVVDQNMNDVPVGEVGEIVYRAPTLMSCYWNNPEATAEAFAGGWFHSGDLVRMDSDGYVWVVDRKKDMIISGGENIYCAELENVLASHPDIAEVAVIGRADEKWGEVPIAVAAVTNDDLRIEDLGEFLTDRLARYKHPKALEIVDALPRNPAGKVLKTELRLRYGACVNVERRSASAGFTERRENRQKL",
"organism": "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)",
"uniprot_code": "O07411",
"uniprot_range_first": 1,
"uniprot_range_last": 554,
"oligomerization": "dimer",
"molecular_type": "protein",
"uniprot_sequence": "MTAQLASHLTRALTLAQQQPYLARRQNWVNQLERHAMMQPDAPALRFVGNTMTWADLRRR\nVAALAGALSGRGVGFGDRVMILMLNRTEFVESVLAANMIGAIAVPLNFRLTPTEIAVLVE\nDCVAHVMLTEAALAPVAIGVRNIQPLLSVIVVAGGSSQDSVFGYEDLLNEAGDVHEPVDI\nPNDSPALIMYTSGTTGRPKGAVLTHANLTGQAMTALYTSGANINSDVGFVGVPLFHIAGI\nGNMLTGLLLGLPTVIYPLGAFDPGQLLDVLEAEKVTGIFLVPAQWQAVCTEQQARPRDLR\nLRVLSWGAAPAPDALLRQMSATFPETQILAAFGQTEMSPVTCMLLGEDAIAKRGSVGRVI\nPTVAARVVDQNMNDVPVGEVGEIVYRAPTLMSCYWNNPEATAEAFAGGWFHSGDLVRMDS\nDGYVWVVDRKKDMIISGGENIYCAELENVLASHPDIAEVAVIGRADEKWGEVPIAVAAVT\nNDDLRIEDLGEFLTDRLARYKHPKALEIVDALPRNPAGKVLKTELRLRYGACVNVERRSA\nSAGFTERRENRQKL",
"mw": 61.719,
"total_mw": 123.438,
"number_molecules": 2,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": "The protein construct used for SAXS contains an additional 16 non-native amino acids at the N-terminus, including a polyhistidine tag (MGSSHHHHHHSQDPNS)."
}
],
"buffer": {
"name": "20 mM HEPES, 500 mM NaCl, 5 mM MgCl2, 1 mM β-mercaptoethanol, 2mM ATP",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.5,
"deuteration": null
},
"purity_method": null,
"name": "Fatty acyl-CoA synthetase FadD5 with 2 mM ATP",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": "Finland",
"full_name": "University of Oulu",
"webpage": "https://www.oulu.fi"
}
],
"contributor_name": "Rajaram",
"contributor_surname": "Venkatesan",
"orcid": "https://orcid.org/0000-0002-7257-1211"
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2022-10-20",
"storage_temperature": -80.0,
"cell_temperature": 4.0,
"exposure_time": 1.0,
"number_of_frames": 20,
"wavelength": 0.09537,
"sample_detector_distance": 3.721,
"concentration_min": null,
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"flow_rate": null,
"s_min": 0.101,
"s_max": 1.799,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [
{
"models": [
{
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"model_title": null,
"type_of_model": "atomic",
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"model_mw": 119.8,
"bead_radius": null,
"log": null,
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"comment": null,
"user": 1198
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDX62_fit1_fixed_fit_img.png",
"software": "FoXS",
"chi_square_value": 1.102803,
"p_value": 0.0,
"fit_residual_plot": "SASDX62_fit1_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDX62_fit1.fit",
"fit_log": null,
"software_version": null,
"description": "FadD5+ATP SAXS on FadD5 AF dimer"
}
],
"estimated_volume_method": null,
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"description": null,
"experiment_description": "Synchrotron SAXS data from solutions of Fatty acyl-CoA synthetase in 20 mM HEPES, 500 mM NaCl, 5 mM MgCl2, 1 mM β-mercaptoethanol, 2mM ATP, pH 7.5 were collected on the B21 beam line at the Diamond Light Source (Didcot, UK) using a Eiger 4M detector at a sample-detector distance of 3.72 m and at a wavelength of λ = 0.09537 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 4.00 mg/ml was measured at 4°C. 20 successive 1 s 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": "arbitrary",
"experimental_mw": 129.0,
"experimental_mw_error": null,
"guinier_i0_mw": null,
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"porod_mw": 133.0,
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"porod_volume": 213.0,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 24,
"guinier_point_last": 202,
"pddf_point_first": null,
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"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDX62_datloglog_img.png",
"symmetry": null,
"last_modified": "2025-03-07T11:04:38.342266+01:00",
"bragg_peak": []
}查看完整 manifest.json 原文
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