PanDDA files from a ligand screen against the NSP3 macrodomain of SARS-CoV-2 - ligands from linking with FRESCO

This deposition contains the X-ray diffraction data used to run PanDDA in the ligand screen against the NSP3 macrodomain of SARS-CoV-2 described in McCorkindale et al. 2022 (https://doi.org/10.1101/2022.11.21.517375). mac1_pandda.zip contains the structure factor intensities, PanDDA input/ouput and refined models/maps. A description of the files can be found in the README file. mac1_ligand-bound_states.zip contains the ligand-bound states extracted from the multi-state PDB files.