PanDDA analysis of fragment screen against the computationally designed ABLE protein

This deposition contains the X-ray diffraction data used to run PanDDA in the screen of fragments from the Enamine Essential fragment library against the computationally designed ABLE protein in Yuda et al. 2025 (https://doi.org/10.1101/2025.01.30.635804).

able_xray.tar.gz contains structure factor intensities, PanDDA input/output and refined models/maps.

able_ligand-bound-states.tar.gz contains the ligand-bound states extracted from the multi-state PDB files.