{ "code": "SASDFG8", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/nm", "project": { "title": "Structure-based screening of binding affinities via small-angle X-ray scattering", "publication": { "title": "Structure-based screening of binding affinities via small-angle X-ray scattering", "author_list": "Chen P, Masiewicz P, Perez K, Hennig J", "journal": null, "doi": "10.1101/715193", "pmid": null, "published_date": "2019 Jul 31" }, "status": "released", "submitted_date": "2019-07-01", "released_date": "2019-08-02" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDFG8.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDFG8.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFG8_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFG8_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDFG8_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFG8_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDFG8.sascif", "experiment": { "instrument": { "detector": { "type": "Dectris", "name": "Pilatus 1M", "resolution": 172.0 }, "name": "ESRF", "city": "Grenoble", "country": "France", "beamline_name": "BM29", "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": "Glutamine-binding periplasmic protein with hexahistidine tag", "short_name": "GlnBP", "sequence": "HHHHHHADKKLVVATDTAFVPFEFKQGDKYVGFDVDLWAAIAKELKLDYELKPMDFSGIIPALQTK\r\nNVDLALAGITITDERKKAIDFSDGYYKSGLLVMVKANNNDVKSVKDLDGKVVAVKSGTGS\r\nVDYAKANIKTKDLRQFPNIDNAYMELGTNRADAVLHDTPNILYFIKTAGNGQFKAVGDSL\r\nEAQQYGIAFPKGSDELRDKVNGALKTLRENGTYNEIYKKWFGTEPK", "organism": "Escherichia coli", "uniprot_code": "P0AEQ3", "uniprot_range_first": 23, "uniprot_range_last": 248, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MKSVLKVSLAALTLAFAVSSHAADKKLVVATDTAFVPFEFKQGDKYVGFDVDLWAAIAKE\nLKLDYELKPMDFSGIIPALQTKNVDLALAGITITDERKKAIDFSDGYYKSGLLVMVKANN\nNDVKSVKDLDGKVVAVKSGTGSVDYAKANIKTKDLRQFPNIDNAYMELGTNRADAVLHDT\nPNILYFIKTAGNGQFKAVGDSLEAQQYGIAFPKGSDELRDKVNGALKTLRENGTYNEIYK\nKWFGTEPK", "mw": 25.786, "total_mw": 25.786, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "100 mM NaCl, 20 mM NaPO4, 0.5 mM TCEP", "concentration_unit": null, "comment": "SEC buffer for PBP experiments", "additive": null, "concentration": null, "pka": null, "ph": 7.4, "deuteration": null }, "purity_method": null, "name": "Glutamine-binding periplasmic protein with hexahistidine tag (GlnBP) in the presence of glutamine - Gln-bound 10-fold excess", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": "EMBL", "address": "Heidelberg, Germany", "full_name": "European Molecular Biology Laboratory (EMBL) - Heidelberg", "webpage": "https://www.embl.de/" } ], "contributor_name": "Po-chia", "contributor_surname": "Chen", "orcid": null } ], "concentration_method": null, "concentration_unit": null, "date": "2018-09-10", "storage_temperature": null, "cell_temperature": 20.0, "exposure_time": 2.0, "number_of_frames": 12, "wavelength": 0.09919, "sample_detector_distance": 2.849, "concentration_min": null, "concentration_max": 2.0, "sample_volume": null, "flow_rate": null, "s_min": 0.031, "s_max": 4.946, "total_exposure_time": null, "seccolumn": null }, "fits": [], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": "5.0", "i0_calibration_standard": null, "description": "Gln-bound GlnBP at a ligand:protein ratio of 10:1. Ligand condition is prepared by dissolving glutamine in powder form (Sigma-Aldrich) directly into the SAXS buffer, followed by dilution to the target concentration with additional SAXS buffer.", "experiment_description": "Synchrotron SAXS data from solutions of GlnBP with a 10-fold excess of glutamine in 100 mM NaCl, 20 mM NaPO4, 0.5 mM TCEP, pH 7.4 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Pilatus 1M detector at a sample-detector distance of 2.8 m and at a wavelength of λ = 0.09919 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 2.00 mg/ml was measured at 20°C. 12 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": "arbitrary", "experimental_mw": 25.0, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": 21.0, "porod_mw_error": null, "pddf_i0": 49.47, "pddf_i0_error": null, "guinier_i0": 49.65, "guinier_i0_error": 0.06, "pddf_rg": 2.023, "pddf_rg_error": null, "guinier_rg": 2.03, "guinier_rg_error": 0.13, "pddf_dmax": 6.1, "pddf_dmax_error": null, "porod_volume": 34.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 15, "guinier_point_last": 130, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDFG8_datloglog_img.png", "symmetry": null, "last_modified": "2019-12-06T13:07:15.624532+01:00", "bragg_peak": [] }