Crystal parameters, data collection and structure refinement statistics.

aThe values in parentheses refer to statistics in the highest bin.bRmerge = ∑hkl∑i|Ii(hkl)-|/∑hkl∑iIi(hkl), where Ii(hkl) is the intensity of an observation and is the mean value for its unique reflection; Summations are over all reflections.cR-factor = ∑h||Fo(h)|-|Fc(h)||/∑h|Fo(h)||, where |Fo| and |Fc| are the observed and calculated structure-factor amplitudes, respectively.dR-free was calculated with 5% of the data excluded from the refinement.eRoot-mean square-deviation from ideal values.fCategories were defined by Molprobity.Crystal parameters, data collection and structure refinement statistics.