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{
"code": "SASDXX3",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/A",
"project": {
"title": "Differentiating the solution structures and stability of transthyretin tetramer complexed with tolcapone and tafamidis using SEC-SWAXS and NMR.",
"publication": {
"title": "Differentiating the solution structures and stability of transthyretin tetramer complexed with tolcapone and tafamidis using SEC-SWAXS and NMR.",
"author_list": "Shih O, Feng YC, Agrawal S, Liao KF, Yeh YQ, Chang JW, Yu TY, Jeng US",
"journal": "J Appl Crystallogr",
"doi": "10.1107/S1600576725004716",
"pmid": "40765976",
"published_date": "2025 Aug 1"
},
"status": "released",
"submitted_date": "2025-04-13",
"released_date": "2025-04-24"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDXX3.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDXX3.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDXX3_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDXX3_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDXX3_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDXX3_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDXX3.sascif",
"experiment": {
"instrument": {
"detector": {
"type": null,
"name": "Eiger X 1M and Eiger X 9M",
"resolution": 75.0
},
"name": "Taiwan Photon Source, NSRRC",
"city": "Hsinchu",
"country": "Taiwan",
"beamline_name": "13A",
"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": "Transthyretin",
"short_name": "TTR",
"sequence": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE",
"organism": "Homo sapiens",
"uniprot_code": "P02766",
"uniprot_range_first": 21,
"uniprot_range_last": 147,
"oligomerization": "tetramer",
"molecular_type": "protein",
"uniprot_sequence": "MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDT\nWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDS\nGPRRYTIAALLSPYSYSTTAVVTNPKE",
"mw": 13.761,
"total_mw": 55.044,
"number_molecules": 4,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": ""
},
{
"long_name": "Tolcapone",
"short_name": null,
"sequence": "C14H11NO5",
"organism": null,
"uniprot_code": null,
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "dimer",
"molecular_type": "other",
"uniprot_sequence": "",
"mw": 0.273,
"total_mw": 0.546,
"number_molecules": 2,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1324"
}
],
"buffer": {
"name": "20 mM Tris, 50 mM NaCl",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.0,
"deuteration": null
},
"purity_method": null,
"name": "Transthyretin tetramer with over-saturated tolcapone",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": "Hsinchu City, Taiwan",
"full_name": "National Synchrotron Radiation Research Center",
"webpage": "https://www.nsrrc.org.tw/"
}
],
"contributor_name": "Orion",
"contributor_surname": "Shih",
"orcid": null
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2023-05-19",
"storage_temperature": 26.0,
"cell_temperature": 26.0,
"exposure_time": 2.0,
"number_of_frames": 5,
"wavelength": 0.08265,
"sample_detector_distance": 2.5,
"concentration_min": null,
"concentration_max": 8.0,
"sample_volume": null,
"flow_rate": null,
"s_min": 0.123,
"s_max": 17.692,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDXX3_fit1_model1_img.png",
"software": "Coot",
"pdb_link": [],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDXX3_fit1_model1.pdb",
"model_mw": 51.76,
"bead_radius": 1.9,
"log": null,
"symmetry": null,
"comment": null,
"user": 216
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDXX3_fit1_fixed_fit_img.png",
"software": "CRYSOL",
"chi_square_value": 8.872,
"p_value": 0.0,
"fit_residual_plot": "SASDXX3_fit1_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDXX3_fit1.fit",
"fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/4D7B.log",
"software_version": null,
"description": ""
}
],
"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
"pddf_software_version": "5.0",
"i0_calibration_standard": null,
"description": "Tolcapone: https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1324",
"experiment_description": "Synchrotron SAXS data from solutions of transthyretin with over-saturated tolcapone in 20 mM Tris, 50 mM NaCl, pH 7 were collected on the 13A beam line at the Taiwan Photon Source, NSRRC (Hsinchu, Taiwan) using a Eiger X 1M and Eiger X 9M detector at a sample-detector distance of 0.3 m (Eiger X 1M) and 2.5 m (Eiger X 9M) and at a wavelength of λ = 0.08265 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 8.00 mg/ml was measured at 26°C. Five successive 2 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.",
"tags": [],
"intensity_unit": "1/cm",
"experimental_mw": 63.5,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": 67.0,
"porod_mw_error": null,
"pddf_i0": 0.09095,
"pddf_i0_error": null,
"guinier_i0": 0.0915168,
"guinier_i0_error": null,
"pddf_rg": 2.5,
"pddf_rg_error": null,
"guinier_rg": 2.52,
"guinier_rg_error": 0.692,
"pddf_dmax": 8.6,
"pddf_dmax_error": null,
"porod_volume": 107.0,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 35,
"guinier_point_last": 51,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDXX3_datloglog_img.png",
"symmetry": null,
"last_modified": "2025-09-04T14:06:08.565750+02:00",
"bragg_peak": []
}
