*The highest resolution shell is shown in parentheses. †Rmerge = ∑h∑i|Ii-〈I〉|/∑h∑iIi, where Ii is the observed intensity of the i-th measurement of reflection h, and 〈I〉 is the average intensity of th
aValues in parentheses correspond to the highest-resolution shell.bRsym = ∑hkl∑i|Ii(hkl)-I(hkl)>|/∑hkl∑iIi(hkl).cR-factor = ∑hkl||Fo(hkl)|-|Fc(hkl)||/∑hkl|Fo(hkl)|. Rfree is the R-factor calculated fo
aRmerge = ∑h∑i|Ih,i−h|/∑h∑i Ih,i where h is the mean intensity of the symmetry-equivalent reflections. bRwork = ∑h∥Fo|−|Fc∥/∑h|Fo| where Fo and Fc are the observed and calculated structure factor ampl
aRsym = ∑h∑i |Ii(h)− |/∑h∑i Ii(h), where I is the observed intensity and is the average intensity of multiple observations of symmetry-related reflections. bRrim = ∑h [N/(N−1)]1/2 ∑i |Ii(h)
