查看完整 summary.json 原文
{
"code": "SASDDE6",
"status": "Published",
"type_of_curve": "Merged",
"angular_unit": "1/nm",
"project": {
"title": "Small-angle X-ray scattering study of the kinetics of light-dark transition in a LOV protein.",
"publication": {
"title": "Small-angle X-ray scattering study of the kinetics of light-dark transition in a LOV protein.",
"author_list": "Röllen K, Granzin J, Batra-Safferling R, Stadler AM",
"journal": "PLoS One",
"doi": "10.1371/journal.pone.0200746",
"pmid": "30011332",
"published_date": "2018"
},
"status": "released",
"submitted_date": "2018-05-09",
"released_date": "2018-07-19"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDDE6.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDDE6.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDE6_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDE6_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDDE6_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDE6_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDDE6.sascif",
"experiment": {
"instrument": {
"detector": {
"type": "Dectris",
"name": "Pilatus 1M",
"resolution": 172.0
},
"name": "ESRF",
"city": "Grenoble",
"country": "France",
"beamline_name": "BM29",
"beam_geometry": "",
"type_of_source": "X-ray synchrotron",
"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": "Sensory box protein light-state (R66I)",
"short_name": "PpSB1-LOV-R66I light",
"sequence": "MGSSHHHHHHSSGLVPRGSH\r\nMINAQLLQSMVDASNDGIVVAEKEGDDTILIYVNAAFEYLTGYSRDEILYQDCRFLQGDDRDQLGRARIR\r\nKAMAEGRPCREVLRNYRKDGSAFWNELSITPVKSDFDQRTYFIGIQKDVSRQVELERELA\r\nELRARPKPDERA",
"organism": "Pseudomonas putida",
"uniprot_code": "Q88E39",
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "dimer",
"molecular_type": "protein",
"uniprot_sequence": "MINAQLLQSMVDASNDGIVVAEKEGDDTILIYVNAAFEYLTGYSRDEILYQDCRFLQGDD\nRDQLGRARIRKAMAEGRPCREVLRNYRKDGSAFWNELSITPVKSDFDQRTYFIGIQKDVS\nRQVELERELAELRARPKPDERA",
"mw": 18.588,
"total_mw": 37.176,
"number_molecules": 2,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
"buffer": {
"name": "10mM Tris, 10 mM NaCl",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.0,
"deuteration": null
},
"purity_method": null,
"name": "Photoreceptor sensory box 1 light-state (SB1-LOV-R66I)",
"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": "Forschungszentrum Jülich",
"webpage": "https://www.fz-juelich.de"
}
],
"contributor_name": "Andreas",
"contributor_surname": "Stadler",
"orcid": null
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2014-12-02",
"storage_temperature": 10.0,
"cell_temperature": 10.0,
"exposure_time": 1.0,
"number_of_frames": 10,
"wavelength": 0.099,
"sample_detector_distance": 2.867,
"concentration_min": 1.05,
"concentration_max": 6.1,
"sample_volume": null,
"flow_rate": null,
"s_min": 0.098,
"s_max": 4.969,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDDE6_fit1_model1_img.png",
"software": "CORAL",
"pdb_link": [],
"model_title": null,
"type_of_model": "mix",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDDE6_fit1_model1.pdb",
"model_mw": 36.24,
"bead_radius": 1.9,
"log": null,
"symmetry": null,
"comment": null,
"user": 317
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDE6_fit1_fixed_fit_img.png",
"software": "CORAL",
"chi_square_value": 1.891,
"p_value": 0.0,
"fit_residual_plot": null,
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDDE6_fit1.fit",
"fit_log": null,
"software_version": "2.8.3",
"description": null
},
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDDE6_fit2_model1_img.png",
"software": "EOM/RANCH",
"pdb_link": [],
"model_title": null,
"type_of_model": "mix",
"software_version": "2.8.3",
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDDE6_fit2_model1.pdb",
"model_mw": 36.31,
"bead_radius": 1.9,
"log": null,
"symmetry": null,
"comment": null,
"user": 317
},
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDDE6_fit2_model2_img.png",
"software": "EOM/RANCH",
"pdb_link": [],
"model_title": null,
"type_of_model": "mix",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDDE6_fit2_model2.pdb",
"model_mw": 36.31,
"bead_radius": 1.9,
"log": null,
"symmetry": null,
"comment": null,
"user": 317
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDE6_fit2_fixed_fit_img.png",
"software": "EOM/GAJOE",
"chi_square_value": 5.639,
"p_value": 0.0,
"fit_residual_plot": "SASDDE6_fit2_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDDE6_fit2.fit",
"fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/logFile_001_1_3NAqfIx.log",
"software_version": "2.8.3",
"description": null
},
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDDE6_fit3_model1_img.png",
"software": "DAMMIN",
"pdb_link": [],
"model_title": null,
"type_of_model": "dummy",
"software_version": "2.8.3",
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDDE6_fit3_model1.pdb",
"model_mw": 25.744,
"bead_radius": 2.0,
"log": null,
"symmetry": "P2",
"comment": null,
"user": 317
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDE6_fit3_fixed_fit_img.png",
"software": "DAMMIN",
"chi_square_value": 1.434,
"p_value": 0.0,
"fit_residual_plot": "SASDDE6_fit3_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDDE6_fit3.fir",
"fit_log": null,
"software_version": "2.8.3",
"description": null
}
],
"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
"pddf_software_version": "4.5a",
"i0_calibration_standard": null,
"description": null,
"experiment_description": "Synchrotron SAXS data from solutions of the light-state photoreceptor sensory box 1 protein (SB1-LOV-R66I) in 10mM Tris, 10 mM NaCl, pH 7 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Pilatus 1M detector at a sample-detector distance of 2.9 m and at a wavelength of λ = 0.099 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Solute concentrations ranging between 1.1 and 6.1 mg/ml were measured at 10°C. 10 successive 1 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. The low angle data collected at lower concentration were merged with the highest concentration high angle data to yield the final composite scattering curve.",
"tags": [],
"intensity_unit": "arbitrary",
"experimental_mw": 38.5,
"experimental_mw_error": null,
"guinier_i0_mw": 43.25,
"guinier_i0_mw_error": 0.052,
"porod_mw": 35.6,
"porod_mw_error": null,
"pddf_i0": 45.19,
"pddf_i0_error": null,
"guinier_i0": 43.25,
"guinier_i0_error": 0.052,
"pddf_rg": 2.63,
"pddf_rg_error": null,
"guinier_rg": 2.56,
"guinier_rg_error": 0.15,
"pddf_dmax": 9.16,
"pddf_dmax_error": null,
"porod_volume": 58.33,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 26,
"guinier_point_last": 85,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDDE6_datloglog_img.png",
"symmetry": null,
"last_modified": "2020-08-28T15:28:05.101532+02:00",
"bragg_peak": []
}
