{"doi":"10.5281/zenodo.17684635","title":"SEC-SAXS data from Escherichia coli aspartate transcarbamoylase (R-state with CTP/UTP)","abstract":"Abstract: E. coli aspartate transcarbamoylase (ATCase) is considered a textbook example of allostery, but the molecular mechanism by which nucleotides exert allosteric control has been long debated. This SEC-SAXS dataset is one of six collected in the presence of different nucleotide conditions at pH 7.5 in the presence of Mg2+. Corresponding cryo-EM map and model: EMD-47958, PDB: 9EEM Experimental description: Size exclusion chromatography (SEC) coupled small-angle X-ray scattering (SAXS) was performed with a 11.34 keV 250 x 250 μm X-ray beam at the Cornell High Energy Synchrotron Source (CHESS) ID7A beamline. The sample (50 μL of 56 μM ATCase in 40 mM Tris-HCl pH 7.5, 15 mM MgCl2, 1 mM TCEP, 10 mM succinate, 0.5 mM CP, 1.5 mM CTP, 1.5 mM UTP) was centrifuged (15,000 × g, 10 min, 4 °C) and loaded onto a Superdex 200 10/300 GL column (Cytiva) operated by a GE Akta Purifier at 4 °C that was pre-equilibrated in a matched buffer. The elution flowed directly into an in-vacuum X-ray sample cell held at 4 °C at 0.3 mL min−1. Scattering images (3-second exposures) were collected throughout the elution on an Eiger 4M detector covering a range of q ≈ 0.0079 – 0.453 Å−1, where q = 4π/λ sin θ, λ is the X-ray wavelength, and 2θ is the scattering angle. File description: zip file of .dat files integrated in BioXTAS RAW","journal":"Zenodo (CERN European Organization for Nuclear Research)","year":2025,"id":587862,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":0.0,"corpus_rank":10062,"citation_count":0,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":true,"is_dataset_confidence":0.9335,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2025-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":832852,"name":"Michael Patterson","orcid":"0000-0002-8701-3722","position":1,"is_corresponding":false},{"id":1025359,"name":"Neti Bhatt","orcid":"0000-0002-7374-2537","position":2,"is_corresponding":false},{"id":615295,"name":"Xiaokun Pei","orcid":"0000-0002-6074-1463","position":3,"is_corresponding":false},{"id":329706,"name":"Nozomi Ando","orcid":"0000-0001-7062-1644","position":4,"is_corresponding":false},{"id":225291,"name":"Robert Miller","orcid":"0000-0002-1787-2855","position":0,"is_corresponding":true}],"reference_count":0,"raw_metadata":null,"created_at":"2026-07-19T02:59:39.958043Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}