{ "code": "SASDEE2", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/A", "project": { "title": "A Metastable Contact and Structural Disorder in the Estrogen Receptor Transactivation Domain.", "publication": { "title": "A Metastable Contact and Structural Disorder in the Estrogen Receptor Transactivation Domain.", "author_list": "Peng Y, Cao S, Kiselar J, Xiao X, Du Z, Hsieh A, Ko S, Chen Y, Agrawal P, Zheng W, Shi W, Jiang W, Yang L, Chance MR, Surewicz WK, Buck M, Yang S", "journal": "Structure", "doi": "10.1016/j.str.2018.10.026", "pmid": "30581045", "published_date": "2019 Feb 5" }, "status": "released", "submitted_date": "2018-08-10", "released_date": "2018-12-23" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDEE2.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDEE2.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEE2_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEE2_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDEE2_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEE2_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDEE2.sascif", "experiment": { "instrument": { "detector": { "type": null, "name": "Pilatus3 S 1M", "resolution": 172.0 }, "name": "National Synchrotron Light Source II (NSLS-II)", "city": "Upton, NY", "country": "USA", "beamline_name": "16-ID (LiX)", "beam_geometry": null, "type_of_source": "X-ray synchrotron", "point_source": true, "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": "Estrogen receptor", "short_name": "ER-NTD", "sequence": "SNAMTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRY", "organism": "Homo sapiens", "uniprot_code": "P03372", "uniprot_range_first": 1, "uniprot_range_last": 184, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY\nEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF\nLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK\nETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC\nRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR\nSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW\nAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG\nMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD\nKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL\nLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV", "mw": 20.175, "total_mw": 20.175, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": "" } ], "buffer": { "name": "20 mM sodium phosphate, 50 mM NaCl, 0.05 mM TCEP", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 7.4, "deuteration": null }, "purity_method": null, "name": "The N-terminal domain of estrogen receptor alpha", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": null, "address": "Cleveland, USA", "full_name": "Case Western Reserve University", "webpage": "https://case.edu/" } ], "contributor_name": "Sichun", "contributor_surname": "Yang", "orcid": null } ], "concentration_method": null, "concentration_unit": null, "date": "2017-06-12", "storage_temperature": null, "cell_temperature": 10.0, "exposure_time": 3.0, "number_of_frames": 3, "wavelength": 0.09, "sample_detector_distance": 3.0, "concentration_min": null, "concentration_max": 2.5, "sample_volume": null, "flow_rate": null, "s_min": 0.29, "s_max": 2.65, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEE2_fit1_model1_img.png", "software": "Custom in-house", "pdb_link": [], "model_title": null, "type_of_model": "atomic", "software_version": null, "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEE2_fit1_model1.pdb", "model_mw": 38.92, "bead_radius": null, "log": null, "symmetry": null, "comment": null, "user": 312 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDEE2_fit1_fixed_fit_img.png", "software": "CRYSOL", "chi_square_value": 2.727678, "p_value": 0.0025, "fit_residual_plot": "SASDEE2_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDEE2_fit1.fit", "fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/7_top1_copied00.log", "software_version": null, "description": null }, { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEE2_fit2_model1_img.png", "software": "Custom in-house", "pdb_link": [], "model_title": null, "type_of_model": "atomic", "software_version": null, "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEE2_fit2_model1.pdb", "model_mw": 38.92, "bead_radius": null, "log": null, "symmetry": null, "comment": null, "user": 312 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDEE2_fit2_fixed_fit_img.png", "software": "CRYSOL", "chi_square_value": 2.317888, "p_value": 0.0025, "fit_residual_plot": "SASDEE2_fit2_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDEE2_fit2.fit", "fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/9_top2_copied00.log", "software_version": null, "description": null }, { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEE2_fit3_model1_img.png", "software": "Custom in-house", "pdb_link": [], "model_title": null, "type_of_model": "atomic", "software_version": null, "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEE2_fit3_model1.pdb", "model_mw": 38.92, "bead_radius": null, "log": null, "symmetry": null, "comment": null, "user": 312 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDEE2_fit3_fixed_fit_img.png", "software": "CRYSOL", "chi_square_value": 1.980408, "p_value": 0.0025, "fit_residual_plot": "SASDEE2_fit3_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDEE2_fit3.fit", "fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/2_top3_copied00.log", "software_version": null, "description": null } ], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": "4.6", "i0_calibration_standard": null, "description": null, "experiment_description": "Synchrotron SAXS data from solutions of the N-terminal domain of estrogen receptor alpha in 20 mM sodium phosphate, 50 mM NaCl, 0.05 mM TCEP, pH 7.4 were collected on the 16-ID (LiX) beam line at the National Synchrotron Light Source (NSLS-II; Brookhaven, NY, USA) using a Pilatus3 S 1M detector at a sample-detector distance of 3 m and at a wavelength of λ = 0.09 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 2.50 mg/ml was measured at 10°C. Three successive 3 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": [ "idp" ], "intensity_unit": null, "experimental_mw": 20.18, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": null, "porod_mw_error": null, "pddf_i0": 9.237, "pddf_i0_error": null, "guinier_i0": 9.21, "guinier_i0_error": 0.1, "pddf_rg": 3.11, "pddf_rg_error": null, "guinier_rg": 3.0, "guinier_rg_error": 0.16, "pddf_dmax": 10.0, "pddf_dmax_error": null, "porod_volume": null, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 3, "guinier_point_last": 15, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDEE2_datloglog_img.png", "symmetry": null, "last_modified": "2024-07-30T14:15:51.650622+02:00", "bragg_peak": [] }