{ "code": "SASDBW6", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/A", "project": { "title": "A shape-shifting redox foldase contributes to Proteus mirabilis copper resistance.", "publication": { "title": "A shape-shifting redox foldase contributes to Proteus mirabilis copper resistance.", "author_list": "Furlong EJ, Lo AW, Kurth F, Premkumar L, Totsika M, Achard MES, Halili MA, Heras B, Whitten AE, Choudhury HG, Schembri MA, Martin JL", "journal": "Nat Commun", "doi": "10.1038/ncomms16065", "pmid": "28722010", "published_date": "2017 Jul 19" }, "status": "released", "submitted_date": "2016-10-04", "released_date": "2017-06-16" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDBW6.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDBW6.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDBW6_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDBW6_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDBW6_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDBW6_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDBW6.sascif", "experiment": { "instrument": { "detector": { "type": "Dectris", "name": "Pilatus 1M", "resolution": 172.0 }, "name": "Australian Synchrotron", "city": "Melbourne", "country": "Australia", "beamline_name": "SAXS/WAXS", "beam_geometry": "Point", "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": "Suppressor of Copper Sensitivity C protein (mutant)", "short_name": "PmScsC (DsbA-like)", "sequence": "AALNAAQEKEVRALVRDTLVSNPEILEEAIMALQTKAEAAAKEAAAKAALASEHDALYNDAASPRIGAKDAKLVLVSFTDYNCPYCKRFDPLLEKITEQYPDVAVIIKPLPFKGESSAKASQAVLSVWKEDPKAFLALHQRLMQKKTMLDNASIEDAMKSTNTSKIKLTDDSLKTLQNNLELSRKLGIQGTPATVIGDTILPGAVDYDQLEIIVKEQLAKVKK", "organism": "Proteus mirabilis", "uniprot_code": "C2LPE2", "uniprot_range_first": 22, "uniprot_range_last": 243, "oligomerization": "trimer", "molecular_type": "protein", "uniprot_sequence": null, "mw": 24.32, "total_mw": 72.96, "number_molecules": 3, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "25 mM HEPES 150mM NaCl, 1mM DTT,", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 7.5, "deuteration": null }, "purity_method": null, "name": "Suppressor of Copper Sensitivity C protein (ScsC) from P. mirabilis (mutant)", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": "ANSTO", "address": "Kirrawee DC, NSW 2232, Australia", "full_name": "Australian Nuclear Science and Technology Organisation", "webpage": "" } ], "contributor_name": "Andrew", "contributor_surname": "Whitten", "orcid": null } ], "concentration_method": null, "concentration_unit": null, "date": "2016-07-22", "storage_temperature": 4.0, "cell_temperature": 10.0, "exposure_time": 23.0, "number_of_frames": 23, "wavelength": 0.1033, "sample_detector_distance": 1.485, "concentration_min": 0.6, "concentration_max": 5.3, "sample_volume": null, "flow_rate": null, "s_min": 0.106, "s_max": 2.499, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDBW6_fit1_model1_img.png", "software": "CORAL", "pdb_link": [ { "pdb_code": "4xvw", "ext_code": "4XVW", "ext_type": "pdb", "difference_with_model": "derived" } ], "model_title": null, "type_of_model": "atomic", "software_version": "05", "model_data": "https://www.sasbdb.org/media/pdb_file/SASDBW6_fit1_model1.pdb", "model_mw": 73.15, "bead_radius": 1.9, "log": "https://www.sasbdb.org/media/log_files/run11_c7f8qut.log", "symmetry": "C3", "comment": "", "user": 111 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDBW6_fit1_fixed_fit_img.png", "software": null, "chi_square_value": 4.85, "p_value": 0.0, "fit_residual_plot": "SASDBW6_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDBW6_fit1.fit", "fit_log": null, "software_version": null, "description": null }, { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDBW6_fit2_model1_img.png", "software": "EOM/RANCH", "pdb_link": [], "model_title": null, "type_of_model": "mix", "software_version": "", "model_data": "https://www.sasbdb.org/media/pdb_file/SASDBW6_fit2_model1.pdb", "model_mw": 73.7, "bead_radius": 1.9, "log": "https://www.sasbdb.org/media/log_files/EOM_logFile_003_1.log", "symmetry": "C3", "comment": "", "user": 111 }, { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDBW6_fit2_model2_img.png", "software": "EOM/RANCH", "pdb_link": [], "model_title": null, "type_of_model": "mix", "software_version": "", "model_data": "https://www.sasbdb.org/media/pdb_file/SASDBW6_fit2_model2.pdb", "model_mw": 73.7, "bead_radius": 1.9, "log": null, "symmetry": "C3", "comment": "", "user": 111 }, { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDBW6_fit2_model3_img.png", "software": "EOM/RANCH", "pdb_link": [], "model_title": null, "type_of_model": "mix", "software_version": "", "model_data": "https://www.sasbdb.org/media/pdb_file/SASDBW6_fit2_model3.pdb", "model_mw": 73.7, "bead_radius": 1.9, "log": null, "symmetry": "C3", "comment": "", "user": 111 }, { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDBW6_fit2_model4_img.png", "software": "EOM/RANCH", "pdb_link": [], "model_title": null, "type_of_model": "mix", "software_version": "", "model_data": "https://www.sasbdb.org/media/pdb_file/SASDBW6_fit2_model4.pdb", "model_mw": 73.7, "bead_radius": 1.9, "log": null, "symmetry": "C3", "comment": "", "user": 111 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDBW6_fit2_fixed_fit_img.png", "software": null, "chi_square_value": 1.87, "p_value": 0.045, "fit_residual_plot": null, "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDBW6_fit2.fit", "fit_log": null, "software_version": null, "description": null } ], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": "GNOM v4.6", "i0_calibration_standard": null, "description": null, "experiment_description": "X-ray synchrotron radiation scattering data from solutions of a Suppressor of Copper Sensitivity C mutant protein (ScsC) from P. mirabilis in 25 mM HEPES 150mM NaCl, 1mM DTT, pH 7.5 were collected on the SAXS/WAXS beam line of the Australian Synchrotron (Melbourne, Australia) using a 2D Photon counting Pilatus 1M-W pixel detector (I(s) vs s, where s = 4π sin θ/λ and 2θ is the scattering angle). Twenty three successive 1 second frames were collected across solute concentrations of 0.60-5.30 mg/ml. The SAXS data displayed this entry was derived from a 1.30 mg/ml sample. The data were normalized to the intensity of the transmitted beam and radially averaged and the scattering of the solvent-blank was subtracted. The models and corresponding fits include those derived from rigid-body modelling using CORAL (top) and a representative ensemble of four trimeric ScsC structures determined using ensemble optimization method (EOM). The Rg and Dmax distributions derived from EOM are included in the full entry zip archive.", "tags": [], "intensity_unit": null, "experimental_mw": 76.4, "experimental_mw_error": null, "guinier_i0_mw": 76.4, "guinier_i0_mw_error": 3.5, "porod_mw": null, "porod_mw_error": null, "pddf_i0": 0.06648, "pddf_i0_error": 7e-05, "guinier_i0": 0.0663, "guinier_i0_error": 0.0001, "pddf_rg": 4.41, "pddf_rg_error": 0.01, "guinier_rg": 4.38, "guinier_rg_error": 0.02, "pddf_dmax": 13.5, "pddf_dmax_error": 0.7, "porod_volume": 108.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 1, "guinier_point_last": 14, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDBW6_datloglog_img.png", "symmetry": null, "last_modified": "2020-08-28T15:28:08.238471+02:00", "bragg_peak": [] }