Pandda crystallography

The analysis of the crystallographic data is performed with pandda

The changed-state of the crystal can then be modelled with pandda

Our new method—Pan-Dataset Density Analysis (PanDDA)—comprises: the characterization of a set of related crystallographic data sets of the same crystal form; the identification of (binding) events; and the subtraction of ground state density to reveal clear density for events

Since changed states are invariably present at sub-unitary occupancy in the crystal, the PanDDA method includes further steps to deconvolute the superposition of crystal states, revealing generally clear density for the changed state of the crystal and simplifying modelling