{ "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": [] }