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{
"code": "SASDF94",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/A",
"project": {
"title": "The quaternary structure of insulin glargine and glulisine under formulation conditions.",
"publication": {
"title": "The quaternary structure of insulin glargine and glulisine under formulation conditions.",
"author_list": "Nagel N, Graewert MA, Gao M, Heyse W, Jeffries CM, Svergun D, Berchtold H",
"journal": "Biophys Chem",
"doi": "10.1016/j.bpc.2019.106226",
"pmid": "31376619",
"published_date": "2019 Oct"
},
"status": "released",
"submitted_date": "2019-03-20",
"released_date": "2019-07-26"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDF94.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDF94.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF94_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF94_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDF94_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF94_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDF94.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": "Insulin glulisine",
"short_name": null,
"sequence": "GIVEQCCTSICSLYQLENYCN\r\nFVKQHLCGSHLVEALYLVCGERGFFYTPET",
"organism": null,
"uniprot_code": null,
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "hexamer",
"molecular_type": "protein",
"uniprot_sequence": null,
"mw": 5.811,
"total_mw": 34.866,
"number_molecules": 6,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
"buffer": {
"name": "Apidra formulation (per ml: 5 mg Sodium chloride, 3.15 mg m-Cresol, 6 mg Trometamol, 0.01 mg Polysorbate 20)",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.3,
"deuteration": null
},
"purity_method": null,
"name": "Insulin glulisine (Apidra), oligomeric composition",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": "EMBL-Hamburg",
"address": "Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany",
"full_name": "European Molecular Biology Laboratory (EMBL) - Hamburg outstation",
"webpage": "http://www.embl-hamburg.de/index.php"
}
],
"contributor_name": "Melissa ",
"contributor_surname": "Graewert",
"orcid": null
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2017-04-20",
"storage_temperature": 20.0,
"cell_temperature": 20.0,
"exposure_time": 0.045,
"number_of_frames": 20,
"wavelength": 0.1241,
"sample_detector_distance": 3.1,
"concentration_min": null,
"concentration_max": 3.49,
"sample_volume": null,
"flow_rate": null,
"s_min": 0.095,
"s_max": 5.034,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDF94_fit1_model1_img.png",
"software": "Custom in-house",
"pdb_link": [],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDF94_fit1_model1.pdb",
"model_mw": 5.653,
"bead_radius": null,
"log": null,
"symmetry": null,
"comment": "monomeric unit",
"user": 14
},
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDF94_fit1_model2_img.png",
"software": "Custom in-house",
"pdb_link": [],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDF94_fit1_model2.pdb",
"model_mw": 11.7,
"bead_radius": null,
"log": null,
"symmetry": null,
"comment": "dimeric unit",
"user": 14
},
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDF94_fit1_model3_img.png",
"software": "Custom in-house",
"pdb_link": [],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDF94_fit1_model3.pdb",
"model_mw": 34.99,
"bead_radius": null,
"log": null,
"symmetry": null,
"comment": "hexameric unit",
"user": 14
},
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDF94_fit1_model4_img.png",
"software": "PDB (Protein Data Bank)",
"pdb_link": [
{
"pdb_code": "3w80",
"ext_code": "3W80",
"ext_type": "pdb",
"difference_with_model": "identical"
}
],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDF94_fit1_model4.pdb",
"model_mw": 70.04,
"bead_radius": null,
"log": null,
"symmetry": null,
"comment": null,
"user": 14
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/a_Apidra_BufferA_0096_WpS7llX_fixed_fit_img.png",
"software": "OLIGOMER",
"chi_square_value": 1.03,
"p_value": 0.574548,
"fit_residual_plot": "a_Apidra_BufferA_0096_WpS7llX_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDF94_fit1.fit",
"fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/oligomer_apidra_log.txt",
"software_version": null,
"description": ""
},
{
"models": [],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/a_Apidra_BufferA_0102_O2ePJvy_fixed_fit_img.png",
"software": "OLIGOMER",
"chi_square_value": 0.95,
"p_value": 0.574548,
"fit_residual_plot": "a_Apidra_BufferA_0102_O2ePJvy_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDF94_fit2.fit",
"fit_log": null,
"software_version": null,
"description": ""
},
{
"models": [],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/a_Apidra_BufferA_0099_g9Szr4u_fixed_fit_img.png",
"software": "OLIGOMER",
"chi_square_value": 1.04,
"p_value": 0.969746,
"fit_residual_plot": "a_Apidra_BufferA_0099_g9Szr4u_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDF94_fit3.fit",
"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": "Here, Apidra measured at 3.49 mg/ml is displayed (formulation concentration). \r\nMeasurements from 2 dilutions in placebo have been deposited in addition. Mixture analysis of the scattering profiles was performed with the program Oligomer. The SAXS data show that Apidra® primarily consists of hexamers, which dissociate into monomers upon dilution. The presence of dimers was not required to fit the experimental data, and their volume fraction was always essentially zero. A small volume fraction is, however, also made up by larger dodecameric species. The distribution between monomer, dimer, hexamer and dodecamer is documented in the logfile. Calculation of the form factors is based on an internal model (Apidra.pdb) for hexamers and 3W80.pdb for dodecamers.",
"experiment_description": null,
"tags": [],
"intensity_unit": "arbitrary",
"experimental_mw": 34.0,
"experimental_mw_error": null,
"guinier_i0_mw": 34.0,
"guinier_i0_mw_error": 5.0,
"porod_mw": null,
"porod_mw_error": null,
"pddf_i0": 62680.0,
"pddf_i0_error": null,
"guinier_i0": 62549.3,
"guinier_i0_error": 147.88,
"pddf_rg": 2.33,
"pddf_rg_error": null,
"guinier_rg": 2.31,
"guinier_rg_error": 0.2,
"pddf_dmax": 7.62,
"pddf_dmax_error": null,
"porod_volume": null,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 2,
"guinier_point_last": 171,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDF94_datloglog_img.png",
"symmetry": null,
"last_modified": "2023-06-21T07:56:39.492710+02:00",
"bragg_peak": []
}
