{ "code": "SASDE27", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/A", "project": { "title": "The structure and stability of the disulfide-linked γS-crystallin dimer provide insight into oxidation products associated with lens cataract formation.", "publication": { "title": "The structure and stability of the disulfide-linked γS-crystallin dimer provide insight into oxidation products associated with lens cataract formation.", "author_list": "Thorn DC, Grosas AB, Mabbitt PD, Ray NJ, Jackson CJ, Carver JA", "journal": "J Mol Biol", "doi": "10.1016/j.jmb.2018.12.005", "pmid": "30552875", "published_date": "2018 Dec 12" }, "status": "released", "submitted_date": "2018-10-29", "released_date": "2018-12-18" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDE27.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDE27.txt", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE27_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE27_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDE27_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE27_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDE27.sascif", "experiment": { "instrument": { "detector": { "type": "multiwire", "name": "Bruker HI-STAR", "resolution": 0.0 }, "name": "Australian Nuclear Science and Technology Organisation/Australian Centre for Neutron Scattering", "city": "Sydney", "country": "Australia", "beamline_name": "Bruker Nanostar II", "beam_geometry": null, "type_of_source": "X-ray in house", "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": "Gamma-crystallin S", "short_name": null, "sequence": ">sp|P22914|CRYGS_HUMAN Gamma-crystallin S OS=Homo sapiens OX=9606 GN=CRYGS PE=1 SV=4\r\nMSKTGTKITFYEDKNFQGRRYDCDCDCADFHTYLSRCNSIKVEGGTWAVYERPNFAGYMY\r\nILPQGEYPEYQRWMGLNDRLSSCRAVHLPSGGQYKIQIFEKGDFSGQMYETTEDCPSIME\r\nQFHMREIHSCKVLEGVWIFYELPNYRGRQYLLDKKEYRKPIDWGAASPAVQSFRRIVE", "organism": "Homo sapiens", "uniprot_code": "P22914", "uniprot_range_first": null, "uniprot_range_last": null, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MSKTGTKITFYEDKNFQGRRYDCDCDCADFHTYLSRCNSIKVEGGTWAVYERPNFAGYMY\nILPQGEYPEYQRWMGLNDRLSSCRAVHLPSGGQYKIQIFEKGDFSGQMYETTEDCPSIME\nQFHMREIHSCKVLEGVWIFYELPNYRGRQYLLDKKEYRKPIDWGAASPAVQSFRRIVE", "mw": 21.007, "total_mw": 21.007, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "20 mM sodium phosphate", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 7.0, "deuteration": null }, "purity_method": null, "name": "Gamma-crystallin S monomer", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": null, "address": "Canberra, Australia", "full_name": "Australian National University", "webpage": "https://www.anu.edu.au/" } ], "contributor_name": "Aidan", "contributor_surname": "Grosas", "orcid": "" } ], "concentration_method": null, "concentration_unit": null, "date": "2018-02-23", "storage_temperature": 4.0, "cell_temperature": 25.0, "exposure_time": 3600.0, "number_of_frames": 4, "wavelength": 0.1541, "sample_detector_distance": 0.73, "concentration_min": null, "concentration_max": 3.0, "sample_volume": null, "flow_rate": null, "s_min": 0.128, "s_max": 3.91, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDE27_fit1_model1_img.png", "software": "Chimera", "pdb_link": [ { "pdb_code": "2m3t", "ext_code": "2M3T", "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/SASDE27_fit1_model1.pdb", "model_mw": 20.93, "bead_radius": null, "log": null, "symmetry": null, "comment": null, "user": 383 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/2m3t-101_fit_img.png", "software": "CRYSOL", "chi_square_value": 1.425, "p_value": 0.229414, "fit_residual_plot": "fit4columns1875_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDE27_fit1.fit", "fit_log": null, "software_version": null, "description": "" } ], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": "4.6", "i0_calibration_standard": null, "description": null, "experiment_description": "SAXS data from solutions of gamma-crystallin S monomer in 20 mM sodium phosphate, pH 7 were collected on the Bruker Nanostar II instrument at the Australian Nuclear Science and Technology Organisation/Australian Centre for Neutron Scattering (ANSTO/ACNS, Sydney, Australia) using a multiwire Bruker Hi-Star detector at a sample-detector distance of 0.7 m and at a wavelength of λ = 0.1541 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 3.00 mg/ml was measured at 25°C. Four successive 3600 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": "arbitrary", "experimental_mw": 15.8, "experimental_mw_error": null, "guinier_i0_mw": 15.8, "guinier_i0_mw_error": 3.3, "porod_mw": 17.0, "porod_mw_error": null, "pddf_i0": 133.5, "pddf_i0_error": 0.5, "guinier_i0": 131.69, "guinier_i0_error": 1.0, "pddf_rg": 1.85, "pddf_rg_error": null, "guinier_rg": 1.796, "guinier_rg_error": 0.03, "pddf_dmax": 5.9, "pddf_dmax_error": null, "porod_volume": 27.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 11, "guinier_point_last": 65, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDE27_datloglog_img.png", "symmetry": null, "last_modified": "2019-12-06T13:07:15.624532+01:00", "bragg_peak": [] }