{ "code": "SASDE86", "status": "Published", "type_of_curve": "SEC-SAS", "angular_unit": "1/nm", "project": { "title": "Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.", "publication": { "title": "Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.", "author_list": "Verschueren KHG, Blanchet C, Felix J, Dansercoer A, De Vos D, Bloch Y, Van Beeumen J, Svergun D, Gutsche I, Savvides SN, Verstraete K", "journal": "Nature", "doi": "10.1038/s41586-019-1095-5", "pmid": "30944476", "published_date": "2019 Apr" }, "status": "released", "submitted_date": "2018-10-10", "released_date": "2019-04-02" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDE86.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDE86.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE86_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE86_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDE86_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE86_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDE86.sascif", "experiment": { "instrument": { "detector": { "type": null, "name": "Pilatus 2M", "resolution": null }, "name": "PETRA III", "city": "DESY; Hamburg", "country": "Germany", "beamline_name": "EMBL P12", "beam_geometry": null, "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": "ATP-citrate lyase", "short_name": "ACL", "sequence": "AKILEGPAMKLFNKWGIPVPNYVVIMDPDRLAQLGEANKWLRESKLVVKAHEAIGGRFKL\r\n GLVKIGLNLEQAIEAAKEMLGAKVGTAEIGQVIIAEMLEHDAEFYVSIIGNKDGAELLIS\r\n KHGGVDIEDNWDSVRRIQIELDENPTIEQLTELAKDAGFEGEIAERVGKICSRLILCFDN\r\n EDAQSIEINPLVIRKSDMRFAALDAVMNVDYDARFRHADWDFKPVSEIGRPFTEAEQQIM\r\n EIDSRIKGSVKFVEVPGGEIALLTAGGGASVFYADAVVARGGTIANYAEYSGDPADWAVE\r\n ALTETICRLPNIKHIIVGGAIANFTDVKATFSGIINGFRESKSKGYLEGVKIWVRRGGPN\r\n EAQGLAAIKQLQEEGFDIHVYDRSMPMTDIVDLAMKSSILANKDTRAVIIGGVAGVNAAK\r\n RMAQFDFLVNRPLTVQAFVYPPEAGQQKEIFRGGELKNVTVYDSLAPALEEHPDINTALI\r\n YLGASRAAQAAKEALESPNIQLVSMITEGVPEKDAKRLKKLAQKLGKMLNGPSSIGIMSA\r\n GECRLGVIGGEFKNLKLCNLYRQGSFGVLTKSGGLSNEAMWLCAQNGDGITSAVAIGGDA\r\n YPGTDFVTYLEMFEKDPATKAVVMIGEVGGNLEEEAAEWLAAEPRRIKLIAAIGGTCQEV\r\n LKGAGSARSKMNALRDAGAYVPDTFGGLSKEIKKVYEELIAAGEISTEIDEAVLPELPPR\r\n VQEVMKQGEVIVEPLIRTTISDDRGEEPRYAGYAASELCSKGYGIEDVIGLLWNKKLPTR\r\n EESEIIKRIVMISADHGPAVSGAFGSILAACAGIDMPQAVSAGMTMIGPRFGGAVTNAGK\r\n YFKMAVEDYPNDIPGFLSWMKKNVGPVPGIGHRVKSVKNPDQRVKYLVSYIKNETSLHTP\r\n CLDYALEVEKVTTAKKGNLILNVDGTIGCILMDLDFPVHSLNGFFVLARTIGMIGHWIDQ\r\n NNQNSRLIRLYDYLINYAVKPEQEVPEK", "organism": "Chlorobium limicola", "uniprot_code": null, "uniprot_range_first": null, "uniprot_range_last": null, "oligomerization": "tetramer", "molecular_type": "protein", "uniprot_sequence": null, "mw": 107.314, "total_mw": 429.256, "number_molecules": 4, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "20mM HEPES, 150mM NaCl, 50mM Tris, 20mM citrate, 2mM CoA", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 7.2, "deuteration": null }, "purity_method": null, "name": "C. limicola ATP-citrate lyase (ACL) in HBS + Citrate + Coenzyme-A", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": "EMBL-Hamburg", "address": "Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany", "full_name": "European Molecular Biology Laboratory (EMBL) - Hamburg outstation", "webpage": "http://www.embl-hamburg.de/index.php" } ], "contributor_name": "Clement", "contributor_surname": "Blanchet", "orcid": null } ], "concentration_method": null, "concentration_unit": null, "date": "2017-09-04", "storage_temperature": 20.0, "cell_temperature": 20.0, "exposure_time": 1.0, "number_of_frames": 900, "wavelength": 0.124, "sample_detector_distance": 3.1, "concentration_min": null, "concentration_max": 16.0, "sample_volume": null, "flow_rate": null, "s_min": 0.025, "s_max": 5.064, "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": null, "experiment_description": "Synchrotron SAXS data from solutions of C. limicola acetyl citrate lyase ACL in 20mM HEPES, 150mM NaCl, 50mM Tris, 20mM citrate, 2mM coenzyme-A, pH 7.2 were collected on the EMBL P12 beam line at the PETRA III storage ring (Hamburg, Germany) using a Pilatus 6M detector at a sample-detector distance of 3.1 m and at a wavelength of λ = 0.124 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Size-exclusion chromatography SAXS (SEC-SAXS) was employed using a sample injection concentration of 16.00 mg/ml. Data were measured at through the SEC elution at 20°C. 900 successive 1 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of an appropriate solvent-blank was subtracted using the CHROMIXS SEC-SAXS analysis package.", "tags": [], "intensity_unit": "arbitrary", "experimental_mw": 420.0, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": 494.0, "porod_mw_error": null, "pddf_i0": 111400.0, "pddf_i0_error": null, "guinier_i0": 110407.0, "guinier_i0_error": 61.0, "pddf_rg": 5.8, "pddf_rg_error": null, "guinier_rg": 5.69, "guinier_rg_error": 0.03, "pddf_dmax": 17.5, "pddf_dmax_error": null, "porod_volume": 791.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 13, "guinier_point_last": 54, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDE86_datloglog_img.png", "symmetry": null, "last_modified": "2023-06-21T07:56:39.492710+02:00", "bragg_peak": [] }