Fig. 2.

High-pH (pH 8.0) structures of M2TM under cryogenic synchrotron (4QK7, Left), room temperature (r.t.) XFEL (5TTC, Center), and room temperature synchrotron (4QKL, Right) diffraction conditions. Waters are shown as spheres (red, full occupancy; light and dark blue, half-occupancy); potential hydrogen bonds are shown as sticks. (Top) The largest number of ordered waters is found in the cryogenic synchrotron diffraction condition; fewer ordered waters are present at room temperature. (Bottom) Electron density for the pore solvent network (blue mesh) is shown to a contour of 0.5 σ. The largest amount of ordered solvent electron density is observed under cryogenic diffraction conditions; the volume and shape of the solvent density for the two room temperature conditions are similar.