Crysal structure parameters, data collection and refinement statistics.

The values in parentheses are those for the highest resolution shell.a Rmerge = Σ|Ih−I>h|/ Σh, where Ih is the intensity of an individual measurement of the reflection and I >h is the mean intensity of the reflection.bI/σ is the mean of the intensity/sigma of the unique, averaged reflections.c Rwork = Σ|Fo−Fc|/ ΣFo, for the 95% of the reflection data used in the refinement. Fo and Fc are the observed and calculated structure factor amplitudes, respectively.dRfree is the equivalent of Rwork, except that it was calculated for a randomly chosen 5% test set excluded from the refinement.Crysal structure parameters, data collection and refinement statistics.