{ "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": [] }