{ "code": "SASDDV4", "status": "Published", "type_of_curve": "Merged", "angular_unit": "1/A", "project": { "title": "Conformational Plasticity of the Immunoglobulin Fc Domain in Solution.", "publication": { "title": "Conformational Plasticity of the Immunoglobulin Fc Domain in Solution.", "author_list": "Remesh SG, Armstrong AA, Mahan AD, Luo J, Hammel M", "journal": "Structure", "doi": "10.1016/j.str.2018.03.017", "pmid": "29731233", "published_date": "2018 Jul 3" }, "status": "released", "submitted_date": "2018-03-06", "released_date": "2018-04-10" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDDV4.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDDV4.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDV4_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDV4_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDDV4_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDV4_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDDV4.sascif", "experiment": { "instrument": { "detector": { "type": null, "name": "Pilatus3 X 2M", "resolution": 172.0 }, "name": "Advanced Light Source (ALS)", "city": "Berkeley, CA", "country": "USA", "beamline_name": "12.3.1 (SIBYLS)", "beam_geometry": "", "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": "Immunoglobulin heavy constant gamma 1 M255Y/S257T/T259E", "short_name": "IgG1 Fc-YTE", "sequence": "TCPPCPAPELLGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPR\r\nEEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTK\r\nNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVM\r\nHEALHNHYTQKSLSLSPGK", "organism": "Homo sapiens", "uniprot_code": "P01857", "uniprot_range_first": null, "uniprot_range_last": null, "oligomerization": "dimer", "molecular_type": "protein", "uniprot_sequence": "ASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSS\nGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGG\nPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYN\nSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDE\nLTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRW\nQQGNVFSCSVMHEALHNHYTQKSLSLSPGK", "mw": 26.6, "total_mw": 53.2, "number_molecules": 2, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "20 mM HEPES, 50mM NaCl", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 7.5, "deuteration": null }, "purity_method": null, "name": "Fc-region of Immunoglobulin G1, M135Y/S137T/T139E mutant (IgG1 Fc-YTE)", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": "UCSF", "address": "San Francisco, CA, USA", "full_name": "University of California, San Francisco (UCSF)", "webpage": "https://www.ucsf.edu/" } ], "contributor_name": "Soumya", "contributor_surname": "G Remesh", "orcid": "" } ], "concentration_method": null, "concentration_unit": null, "date": "2016-02-17", "storage_temperature": 4.0, "cell_temperature": 20.0, "exposure_time": 0.3, "number_of_frames": 33, "wavelength": 0.103, "sample_detector_distance": 1.5, "concentration_min": 1.0, "concentration_max": 14.0, "sample_volume": null, "flow_rate": null, "s_min": 0.109, "s_max": 5.319, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDDV4_fit1_model1_img.png", "software": "BILBOMD", "pdb_link": [], "model_title": null, "type_of_model": "atomic", "software_version": null, "model_data": "https://www.sasbdb.org/media/pdb_file/SASDDV4_fit1_model1.pdb", "model_mw": 211.3, "bead_radius": null, "log": null, "symmetry": null, "comment": null, "user": 293 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDV4_fit1_fitfoxs_img.png", "software": "MultiFoXS", "chi_square_value": 1.58697, "p_value": 0.0, "fit_residual_plot": "SASDDV4_fit1_fitfoxsresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDDV4_fit1.dat", "fit_log": null, "software_version": null, "description": null } ], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": "5.0", "i0_calibration_standard": null, "description": null, "experiment_description": "Synchrotron SAXS data from solutions of the Fc-region of Immunoglobulin G1, M135Y/S137T/T139E mutant (IgG1 Fc-YTE) in 20 mM HEPES, 50mM NaCl, pH 7.5, were collected on the 12.3.1 (SIBYLS) beam line at the Advanced Light Source (ALS; Berkeley, CA, USA) using a Pilatus3 X 2M detector at a sample-detector distance of 1.5 m and at a wavelength of λ = 0.103 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Solute concentrations ranging between 1 and 14 mg/ml were measured at 20°C. 33 successive 0.300 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. The low angle data collected at lower concentration were merged with the highest concentration high angle data to yield the final composite scattering curve.", "tags": [], "intensity_unit": "arbitrary", "experimental_mw": 53.3, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": null, "porod_mw_error": null, "pddf_i0": 499.7, "pddf_i0_error": 1.0, "guinier_i0": 497.0, "guinier_i0_error": 1.4, "pddf_rg": 2.75, "pddf_rg_error": 0.006, "guinier_rg": 2.73, "guinier_rg_error": 0.01, "pddf_dmax": 10.0, "pddf_dmax_error": 0.01, "porod_volume": 74.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 5, "guinier_point_last": 67, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDDV4_datloglog_img.png", "symmetry": null, "last_modified": "2019-12-06T13:07:15.624532+01:00", "bragg_peak": [] }