Crystallographic data and refinement statistics.

aNumbers in parentheses refer to the highest resolution shell.bRmerge = Σ|I−〈I〉|/ΣI, where I is the observed intensity and 〈I〉 is the averaged intensity of multiple observations of symmetry-related reflections.cRmeas = Σ[(n/n−1)]1/2Σ|I−〈I〉|/ΣI, where n is the number of observations of a given reflection.dHalf-dataset correlation coefficient.eRwork = Σ|Fo−Fc|/Σ|Fo|, where Fo is the observed structure factor, Fc is the calculated structure factor.fRfree was calculated using a subset (5%) of the reflection not used in the refinement.