Statistics on data collection and structure refinement.

aValues in parentheses are for the data in the highest resolution shell.bRmerge = ∑|Ii−Im|/∑Ii, where Ii is the intensity of the measured reflection and Im is the mean intensity of all symmetry related reflections.cRwork = ∑|Fo−Fc|/∑Fo, where Fo and Fc are the observed and calculated structure factor amplitudes.dRfree is the same as Rwork, but calculated on 5% reflections not used in refinement.eAnalyzed by RAMPAGE [34].