{ "code": "SASDWC3", "status": "Published", "type_of_curve": "SEC-SAS", "angular_unit": "1/A", "project": { "title": "Size-exclusion chromatography–small-angle neutron scattering system optimized for an instrument with medium neutron flux", "publication": { "title": "Size-exclusion chromatography–small-angle neutron scattering system optimized for an instrument with medium neutron flux", "author_list": "Morishima K, Inoue R, Nakagawa T, Shimizu M, Sakamoto R, Oda T, Mayumi K, Sugiyama M", "journal": "Journal of Applied Crystallography", "doi": "10.1107/S1600576725000779", "pmid": null, "published_date": "2025 Feb 11" }, "status": "released", "submitted_date": "2024-12-09", "released_date": "2025-02-12" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDWC3.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDWC3.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWC3_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWC3_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDWC3_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWC3_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDWC3.sascif", "experiment": { "instrument": { "detector": { "type": "3He position sensitive detector (PSD)", "name": "ORDELA, model 2660N", "resolution": 5.0 }, "name": "JRR-3 (Japan Atomic Energy Agency)", "city": "Ibaraki", "country": "Japan", "beamline_name": "SANS-U", "beam_geometry": null, "type_of_source": "neutron source", "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": "Ferritin light chain", "short_name": null, "sequence": "SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRELAEEKREGAERLLKMQNQRGGRALFQDLQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAGLGEYLFERLTLKHD", "organism": "Equus caballus", "uniprot_code": "P02791", "uniprot_range_first": 2, "uniprot_range_last": 175, "oligomerization": "24-mer", "molecular_type": "protein", "uniprot_sequence": "MSSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFFRELAEEKR\nEGAERLLKMQNQRGGRALFQDLQKPSQDEWGTTLDAMKAAIVLEKSLNQALLDLHALGSA\nQADPHLCDFLESHFLDEEVKLIKKMGDHLTNIQRLVGSQAGLGEYLFERLTLKHD", "mw": 19.846, "total_mw": 476.304, "number_molecules": 24, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": "" } ], "buffer": { "name": "100 mM Tris-HCl, 100 mM NaCl in 100% v/v D₂O", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 7.5, "deuteration": null }, "purity_method": null, "name": "Apoferritin, from SEC-SANS", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": null, "address": null, "full_name": "Kyoto University", "webpage": null } ], "contributor_name": "Ken", "contributor_surname": "Morishima", "orcid": "https://orcid.org/0000-0003-1091-3850" } ], "concentration_method": null, "concentration_unit": null, "date": "2024-04-22", "storage_temperature": 10.0, "cell_temperature": 25.0, "exposure_time": 600.0, "number_of_frames": 24, "wavelength": 0.6, "sample_detector_distance": 4.0, "concentration_min": null, "concentration_max": 12.0, "sample_volume": 500.0, "flow_rate": 0.0, "s_min": 0.106, "s_max": 3.972, "total_exposure_time": null, "seccolumn": 47 }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDWC3_fit1_model1_img.png", "software": "PDB (Protein Data Bank)", "pdb_link": [ { "pdb_code": "4v1w", "ext_code": "4V1W", "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/SASDWC3_fit1_model1.pdb", "model_mw": 464.5, "bead_radius": null, "log": null, "symmetry": null, "comment": null, "user": 1158 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDWC3_fit1_fixed_fit_img.png", "software": "CRYSON", "chi_square_value": 2.0012, "p_value": 0.004, "fit_residual_plot": "SASDWC3_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDWC3_fit1.fit", "fit_log": null, "software_version": null, "description": "" } ], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": null, "i0_calibration_standard": null, "description": "SEC elution paused during SANS measurements.", "experiment_description": "SANS data from solutions of apoferritin in 100 mM Tris-HCl, 100 mM NaCl in 100% v/v D₂O, pH 7.5 were collected on the SANS-U beam line at JRR-3 (Japan Atomic Energy Agency; Ibaraki, Japan) using a ORDELA, model 2660N detector at a sample-detector distance of 4 and 1.03 m at a wavelength of λ = 0.6 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Stop-flow mode in-line size-exclusion chromatography (SEC) SAS was employed. The SEC parameters were as follows: A 500.00 μl sample at 12 mg/ml was injected onto a Cytiva Superdex 200 Increase 10/300 column at 25°C. 24 successive 600 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": 399.0, "experimental_mw_error": null, "guinier_i0_mw": 399.0, "guinier_i0_mw_error": 6.0, "porod_mw": null, "porod_mw_error": null, "pddf_i0": 0.9209, "pddf_i0_error": null, "guinier_i0": 0.941156, "guinier_i0_error": null, "pddf_rg": 5.38, "pddf_rg_error": null, "guinier_rg": 5.44, "guinier_rg_error": 0.08, "pddf_dmax": 23.09, "pddf_dmax_error": null, "porod_volume": null, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 11, "guinier_point_last": 17, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDWC3_datloglog_img.png", "symmetry": null, "last_modified": "2025-02-12T13:44:34.023829+01:00", "bragg_peak": [] }