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Figure 4
Part of (a) the 2FoFc neutron map (contoured at 1.5 σ) and (b) the 2FoFc X-ray map (contoured at 1.5σ) of chain A of crystal A. The neutron scattering length density for the three ordered water molecules (W1, W2 and W3) is compromised, indicating the back-exchange of D2O. (c) The 2FoFc neutron map (contoured at 1.5σ) and (d) the 2FoFc X-ray map (contoured at 1.5σ) of crystal B, corresponding to the same region shown in panels (a) and (b). The neutron scattering length density for the three water molecules can be clearly seen.

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