查看完整 summary.json 原文
{
"code": "SASDAC8",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/nm",
"project": {
"title": "SdsA polymorph isolation and improvement of their crystal quality using nonconventional crystallization techniques",
"publication": {
"title": "SdsA polymorph isolation and improvement of their crystal quality using nonconventional crystallization techniques",
"author_list": "De la Mora E, Flores-Hernández E, Jakoncic J, Stojanoff V, Siliqi D, Sánchez-Puig N, Moreno A",
"journal": "Journal of Applied Crystallography",
"doi": "10.1107/S1600576715016556 ",
"pmid": null,
"published_date": "2015 Oct 1"
},
"status": "released",
"submitted_date": "2015-05-17",
"released_date": "2015-09-20"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDAC8.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDAC8.dat",
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"experiment": {
"instrument": {
"detector": {
"type": "20Hz",
"name": "Pilatus 300K",
"resolution": null
},
"name": "National Synchrotron Light Source (NSLS)",
"city": "Brookhaven, NY",
"country": "USA",
"beamline_name": "X9A",
"beam_geometry": "",
"type_of_source": "X-ray synchrotron",
"point_source": null,
"line_collimation": null,
"sample_path_length": null,
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"line_collimation_integrationwidth": null,
"xray_energy": null,
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},
"sample": {
"molecule": [
{
"long_name": "Pseudomonas aeruginosa SDS hydrolase SdsA1",
"short_name": null,
"sequence": "MSRLLALLALAPLLAGAAETTAPKPPSAFTVEAQRRVEAELPFADRADFERADRGLIRRPERLLIRNPDGSVAWQLGGYDFLLDGKPRDSINPSLQRQALLNLKYGLFEVAEGIYQVRGFDLANITFIRGDSGWIVVDTLTTPATARAAYELVSRELGERPIRTVIYSHAHADHFGGVRGLVEPQQVASGAVQIIAPAGFMEAAIKENVLAGNAMMRRATYQYGTQLPKGPQGQVDMAIGKGLARGPLSLLAPTRLIEGEGEDLVLDGVPFTFQNTPGTESPAEMNIWLPRQKALLMAENVVGTLHNLYTLRGAEVRDALGWSKYINQALHRFGRQAEVMFAVHNWPRWGNAEIVEVLEKQRDLYGYLHDQTLHLANQGVTIGQVHNRLRLPPSLDQEWYDRGYHGSVSHNARAVLNRYLGYYDGNPATLDPLSPEDSAGRYVEYMGGAERLLEQARASYARGEYRWVVEVVNRLVFAEPDNRAARELQADALEQLGYQAENAGWRNSYLSAAYELRHGVPRDQPTMKAGSADALAAMDTGLLFDYLGVRLDAGAAEGKALSINLRLPDIGENYLLELKNSHLNNLRGVQSEDAGQTVSIDRADLNRLLLKEVSAVRLVFEGKLKSSGNPLLLGQLFGMLGDFDFWFDIVTPAAKSEG",
"organism": "Pseudomonas aeruginosa",
"uniprot_code": "Q9I5I9",
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "dimer",
"molecular_type": "protein",
"uniprot_sequence": "MSRLLALLALAPLLAGAAETTAPKPPSAFTVEAQRRVEAELPFADRADFERADRGLIRRP\nERLLIRNPDGSVAWQLGGYDFLLDGKPRDSINPSLQRQALLNLKYGLFEVAEGIYQVRGF\nDLANITFIRGDSGWIVVDTLTTPATARAAYELVSRELGERPIRTVIYSHAHADHFGGVRG\nLVEPQQVASGAVQIIAPAGFMEAAIKENVLAGNAMMRRATYQYGTQLPKGPQGQVDMAIG\nKGLARGPLSLLAPTRLIEGEGEDLVLDGVPFTFQNTPGTESPAEMNIWLPRQKALLMAEN\nVVGTLHNLYTLRGAEVRDALGWSKYINQALHRFGRQAEVMFAVHNWPRWGNAEIVEVLEK\nQRDLYGYLHDQTLHLANQGVTIGQVHNRLRLPPSLDQEWYDRGYHGSVSHNARAVLNRYL\nGYYDGNPATLDPLSPEDSAGRYVEYMGGAERLLEQARASYARGEYRWVVEVVNRLVFAEP\nDNRAARELQADALEQLGYQAENAGWRNSYLSAAYELRHGVPRDQPTMKAGSADALAAMDT\nGLLFDYLGVRLDAGAAEGKALSINLRLPDIGENYLLELKNSHLNNLRGVQSEDAGQTVSI\nDRADLNRLLLKEVSAVRLVFEGKLKSSGNPLLLGQLFGMLGDFDFWFDIVTPAAKSEG",
"mw": 72.591,
"total_mw": 145.183,
"number_molecules": 2,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
"buffer": {
"name": "50 mM HEPES",
"concentration_unit": "mM",
"comment": null,
"additive": null,
"concentration": 50.0,
"pka": null,
"ph": 7.0,
"deuteration": null
},
"purity_method": null,
"name": "SDS hydrolase SdsA1",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [],
"contributor_name": "Eugenio",
"contributor_surname": "De la Mora",
"orcid": null
},
{
"affiliation": [],
"contributor_name": "Dritan",
"contributor_surname": "Siliqi",
"orcid": null
}
],
"concentration_method": null,
"concentration_unit": "mg/ml",
"date": "2013-07-22",
"storage_temperature": 20.0,
"cell_temperature": null,
"exposure_time": 30.0,
"number_of_frames": 6,
"wavelength": 0.091,
"sample_detector_distance": 3.4,
"concentration_min": null,
"concentration_max": 12.2,
"sample_volume": null,
"flow_rate": null,
"s_min": 0.08,
"s_max": 19.6,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDAC8_fit1_model1_img.png",
"software": "CRYSOL",
"pdb_link": [],
"model_title": null,
"type_of_model": "atomic",
"software_version": "",
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDAC8_fit1_model1.pdb",
"model_mw": 139.5,
"bead_radius": 1.9,
"log": null,
"symmetry": "",
"comment": "",
"user": 67
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDAC8_fit1_fit_img.png",
"software": null,
"chi_square_value": 7.14,
"p_value": 0.0,
"fit_residual_plot": "SASDAC8_fit1_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDAC8_fit1.fit",
"fit_log": null,
"software_version": null,
"description": null
}
],
"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
"pddf_software_version": "gnom",
"i0_calibration_standard": null,
"description": null,
"experiment_description": "X-ray synchrotron radiation scattering data from solutions of Pseudomonas aeruginosa SDS \r\nhydrolase SdsA1 in 50 mM HEPES were collected on the X9A camera on the storage ring NSLS \r\n(Brookhaven, USA). Using a 20Hz Pilatus 300K detector as SAXS detector (located at 3.4m \r\nfrom the sample) and a custom-designed Photonic Science CCD detector as WAXS detector \r\n(located at 20cm from the sample). Together, these two detectors cover a \r\ncombined s range of 0.08 -19.600 nm-1, with overlapping data between 1.2 and 2.0 nm-1 (s = 4π sin θ/λ, where 2θ is the scattering angle). One solute concentration of 12.20 mg/ml \r\nwas measured. Six successive 30 second frames were collected. The data were normalized to \r\nthe intensity of the transmitted beam and radially averaged; the scattering of the \r\nsolvent-blank was subtracted and the different curves were scaled for protein \r\nconcentration. The low angle data collected were obtained from a single concentration \r\nscattering curve. For SAXS data analysis (RG, Pr function) we used the data up to 2.0 \r\nnm-1.",
"tags": [
"waxs"
],
"intensity_unit": null,
"experimental_mw": 140.0,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": 153.0,
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"pddf_i0": 1607.0,
"pddf_i0_error": null,
"guinier_i0": 1590.0,
"guinier_i0_error": null,
"pddf_rg": 3.66,
"pddf_rg_error": null,
"guinier_rg": 3.6,
"guinier_rg_error": 0.89,
"pddf_dmax": 16.9,
"pddf_dmax_error": null,
"porod_volume": 261.0,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": null,
"guinier_point_last": null,
"pddf_point_first": 11,
"pddf_point_last": 100,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDAC8_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
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"started_at": "2026-08-11T15:50:10.051453+00:00",
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