Figure 3.
Fig. 3. Examples of the hydration water molecules. (a) F[o]
- F[c] omit map (at 4.0 ) of the hydration
water molecules near the residues Gly-9 and Ser-46 of a
neighboring molecule. Note the presence of two types of water
molecules. Water #3 has a triangular shape and is fully ordered,
whereas water #4 has an ellipsoidal shape and is only partially
ordered with only one D atom (cyan) and one O atom (red)
visible. The third atom (D) of water #4 is rotationally
disordered and is not observable in this map. (b) F[o] - F[c]
omit map at 4.0 level of the hydration
water molecule (#7) near Asp-18 and Asp-20. The green line
corresponds to a previously suspected H bond whose existence has
been disproved on the basis of neutron data (see text). The
dotted lines indicate H bonds.
) of the hydration
water molecules near the residues Gly-9 and Ser-46 of a
neighboring molecule. Note the presence of two types of water
molecules. Water #3 has a triangular shape and is fully ordered,
whereas water #4 has an ellipsoidal shape and is only partially
ordered with only one D atom (cyan) and one O atom (red)
visible. The third atom (D) of water #4 is rotationally
disordered and is not observable in this map. (b) F[o] - F[c]
omit map at 4.0