查看完整 summary.json 原文
{
"code": "SASDE26",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/nm",
"project": {
"title": "Solution structures of long-acting insulin analogues and their complexes with albumin.",
"publication": {
"title": "Solution structures of long-acting insulin analogues and their complexes with albumin.",
"author_list": "Ryberg LA, Sønderby P, Barrientos F, Bukrinski JT, Peters GHJ, Harris P",
"journal": "Acta Crystallogr D Struct Biol",
"doi": "10.1107/S2059798318017552",
"pmid": "30950398",
"published_date": "2019 Mar 1"
},
"status": "released",
"submitted_date": "2018-10-03",
"released_date": "2019-04-07"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDE26.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDE26.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE26_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE26_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDE26_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE26_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDE26.sascif",
"experiment": {
"instrument": {
"detector": {
"type": null,
"name": "Pilatus 2M",
"resolution": null
},
"name": "PETRA III",
"city": "DESY; Hamburg",
"country": "Germany",
"beamline_name": "EMBL P12",
"beam_geometry": null,
"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": "Human Albumin (Recombumin(R) Elite, Albumedix Ltd.)",
"short_name": null,
"sequence": "DAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAE\r\nNCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEV\r\nDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLP\r\nKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTK\r\nVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPA\r\nDLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKC\r\nCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVST\r\nPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTES\r\nLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKAT\r\nKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL",
"organism": null,
"uniprot_code": "P02768",
"uniprot_range_first": 25,
"uniprot_range_last": 609,
"oligomerization": "monomer",
"molecular_type": "protein",
"uniprot_sequence": "MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPF\nEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEP\nERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLF\nFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAV\nARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLK\nECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYAR\nRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFE\nQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVV\nLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTL\nSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLV\nAASQAALGL",
"mw": 66.472,
"total_mw": 66.472,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
},
{
"long_name": "Insulin degludec(Tresiba(R), Novo Nordisk A/S)",
"short_name": null,
"sequence": "GIVEQCCTSICSLYQLENYCN\r\nFVNQHLCGSHLVEALYLVCGERGFFYTPK",
"organism": null,
"uniprot_code": "P01308",
"uniprot_range_first": 25,
"uniprot_range_last": 110,
"oligomerization": "dodecamer",
"molecular_type": "protein",
"uniprot_sequence": "MALWMRLLPLLALLALWGPDPAAAFVNQHLCGSHLVEALYLVCGERGFFYTPKTRREAED\nLQVGQVELGGGPGAGSLQPLALEGSLQKRGIVEQCCTSICSLYQLENYCN",
"mw": 6.1,
"total_mw": 73.2,
"number_molecules": 12,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
"buffer": {
"name": "25 mM Na2HPO4, 15.9 mM m-cresol, 15.9 mM phenol, 212.8 mM glycerol, 20 mM NaCl",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.6,
"deuteration": null
},
"purity_method": null,
"name": "Albumin-insulin degludec 1:12 complex",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": "Lyngby, Denmark",
"full_name": "Technical University of Denmark",
"webpage": "http://www.dtu.dk"
}
],
"contributor_name": "Line Abildgaard",
"contributor_surname": "Ryberg",
"orcid": ""
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2017-06-27",
"storage_temperature": null,
"cell_temperature": 20.0,
"exposure_time": 1.0,
"number_of_frames": null,
"wavelength": 0.1241,
"sample_detector_distance": 3.0,
"concentration_min": null,
"concentration_max": 6.5,
"sample_volume": null,
"flow_rate": null,
"s_min": 0.05,
"s_max": 5.036,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDE26_fit2_model1_img.png",
"software": "SASREF CV",
"pdb_link": [
{
"pdb_code": "1bj5",
"ext_code": "1BJ5",
"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/SASDE26_fit2_model1.pdb",
"model_mw": 133.4,
"bead_radius": null,
"log": null,
"symmetry": "P1",
"comment": null,
"user": 329
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/RTTR-1bj5-800_fit_img.png",
"software": "CRYSOL",
"chi_square_value": 1.741,
"p_value": 0.0,
"fit_residual_plot": "RTTR-1bj5-800_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDE26_fit2.fit",
"fit_log": null,
"software_version": null,
"description": ""
},
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDE26_fit3_model1_img.png",
"software": "DAMMIF",
"pdb_link": [
{
"pdb_code": "1trz",
"ext_code": "1TRZ",
"ext_type": "pdb",
"difference_with_model": "derived"
}
],
"model_title": null,
"type_of_model": "dummy",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDE26_fit3_model1.pdb",
"model_mw": 107.0,
"bead_radius": 2.7,
"log": null,
"symmetry": null,
"comment": null,
"user": 329
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/HSA_dihex-7_fit_img.png",
"software": "DAMMIF",
"chi_square_value": 1.665,
"p_value": 4.3e-05,
"fit_residual_plot": "HSA_dihex-7_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDE26_fit3.fir",
"fit_log": null,
"software_version": null,
"description": ""
}
],
"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
"pddf_software_version": "5.0",
"i0_calibration_standard": null,
"description": "SEC–SAXS with flow cell, effective sample path length 1.7 mm, flow rate 0.70 mL/min, 100 µL sample loaded with concentration 10.6 mg/mL.\r\nA Superdex 200 Increase 10/300 GL column (GE Healthcare Life Sciences) was used in combination with an Agilent 1260 Infinity Bio-Inert HPLC/FPLC machine\r\nContinuous 1 s SAXS data-frame measurements of SEC elution.",
"experiment_description": "Synchrotron SAXS data from solutions of Albumin-insulin degludec (1:12 complex) in 25 mM Na2HPO4, 15.9 mM m-cresol, 15.9 mM phenol, 212.8 mM glycerol, 20 mM NaCl, pH 7.6 were collected on the EMBL P12 beam line at the PETRA III storage ring (DESY, Hamburg, Germany) using a Pilatus 2M detector at a sample-detector distance of 3 m and at a wavelength of λ = 0.1241 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 6.50 mg/ml was measured at 20°C. 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",
"experimental_mw": 138.5,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": 119.6,
"porod_mw_error": null,
"pddf_i0": 0.1017,
"pddf_i0_error": null,
"guinier_i0": 0.102,
"guinier_i0_error": null,
"pddf_rg": 3.782,
"pddf_rg_error": null,
"guinier_rg": 3.8,
"guinier_rg_error": null,
"pddf_dmax": 13.4,
"pddf_dmax_error": null,
"porod_volume": 179.46,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": null,
"guinier_point_last": null,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDE26_datloglog_img.png",
"symmetry": null,
"last_modified": "2023-06-21T07:56:39.492710+02:00",
"bragg_peak": []
}
