FIGURE 3. Structure of CDCA1-R2 bound to substrate analogue acetate.

a, A close-up view of the region around acetate. The F_o - F_c electron density map surrounding acetate was calculated using simulated annealing with the omission of acetate and was contoured at 5. b, A close-up view of the active site conformation. Metal coordination and hydrogen bonds are indicated by red and green dashed lines, respectively. Relevant distances are indicated (Å). c, A hydrophobic channel traverses through CDCA1-R2. Cd is highlighted in red. Acetate is shown in yellow. The conserved hydrophobic residues that line the channel are shown in magenta. (Stereo views of a and b are shown in Supplementary Fig. 3b and c.)