There are three files included in the Supporting Data upload:

A. "Fig 2 Supp Data" provides supporting data for figure 2 in the manuscript. The LHS column is temperature (in K). The "ADO_H2O", "ADO_D2O", "EXP_H2O" and "EXP_D2O" columns are the calculated (ADO) or measured (EXP) rate coefficients, k, in units of cm^{3} s^{-1}. The uncertainty range is also provided for the experimental rate coefficients.
B. Two files, "table_phi0" and "table_phi90", provide supporting data for the calculated potential energy curves (related to figures 3 and 4 in the manuscript). The energies of the one-dimensional cuts of the four potential energy surfaces are given in hartree, as a function of R (the distance between the Kr atom and the centre of mass of water, in units of a_0) and with theta and phi as specified (see manuscript for how these angles are defined).
