Glutamine synthetase cryo-EM maps and EMMIVox ensemble refinements

This deposit contains molecular dynamics trajectory files (.xtc) and PDB model files (.pdb) generated using the EMMIVox ensemble refinement approach applied to cryo-electron microscopy (cryo-EM) maps of glutamine synthetase; specificially EMD-70845 (apo-filament), EMD-70841 (turnover filament), and EMD-70843 (turnover decamer). EMMIVox (https://doi.org/10.1371/journal.pcbi.1012180) is a Bayesian inference-based method designed to integrate cryo-EM data with atomistic and coarse-grained molecular dynamics simulations, enabling the determination of both high-quality single-structure models and structural ensembles that capture the conformational heterogeneity present in the experimental data. Additionally, this deposit contains multiple .zip files containing cryo-EM maps and masks used for additional processing requested by reviewers listed below: Sharpened_Maps.zip contains all of the sharpened cryo-EM maps produced by Phenix using the half-map function. Local_Refinement_Turnover_Filament.zip contains the focused refinement mask, resultant maps, half-maps, and sharpened map. These correspond to cryosparc Project 2 Job 497. Turnover_Decamer_focused_classification.zip contains the C5 consensus mask, resultant maps, half-maps, and sharpened map (cryosparc Project 2 Job 310) as well as the focus mask (cryosparc Project 2 Job 516) used on symmetry expanded particles and the resultant 3D classified maps (cryosparc Project 2 Job 516). Turnover_Filament_focused_classificiation.zip contains the focus mask (cryosparc Project 2 Job 521) used on symmetry expanded particles and the resultant 3D classified maps (cryosparc Project 2 Job 519)