TABLE 1.

Crystallographic data and refinement statistics

^a R = Σ|I − <I>|/ΣI, where I is the observed intensity and <I> is the averaged intensity of multiple observations of symmetry-related reflections.

^b Numbers in parentheses refer to the highest resolution shell.

^c R = Σ|F_o − F_c|/Σ|F_o|, where F_o is the observed structure factor, F is the calculated structure factor.

^d R was calculated using a subset (5%) of the reflection not used in the refinement.