TABLE 1.

Crystallographic statistics (Values in parentheses are for the high resolution shell)

^†R_merge=Σ_hkl Σ_i|I_i(hkl) − [I(hkl)]|/Σ_hkl Σ_iI_i(hkl), where I_i(hkl) is the ith measurement of reflection hkl and [I(hkl)] is the weighted mean of all measurements.

^†† R_pim = Σ_hkl (1/(N − 1)) 1/2 Σi | I_i(hkl) − [I(hkl)]|/Σ_hkl Σi I_i(hkl), where N is the redundancy for the hkl reflection.

^††† R_work/R_free = Σ_hkl | Fo − Fc |/Σ_hkl|Fo|, where Fc is the calculated and Fo is the observed structure factor amplitude of reflection hkl for the working/free (5%) set, respectively.