Diffusion of water within cross-linked tetragonal crystals of hen egg-
white lysozyme has been measured and simulated on a computer using the
X-ray structure of water-filled channels within the crystal lattice.
Relative to the self-diffusion coefficient of bulk water molecules, th
e experimental diffusion coefficient of water within the crystal was f
ound to be 13 times reduced in the (001) crystallographic plane and 5
times reduced in the [001] direction. Comparison of the experimental a
nd computer simulated diffusion coefficients shows that steric limitat
ions for water diffusion are mostly responsible for this reduction of
the water diffusion in the crystal, with the self-diffusion coefficien
t of intracrystalline water reduced by no more than 30-40% as compared
to that of bulk water.