Data collection statistics.

Rmerge = ΣhklΣiIi(hkl)—⟨I(hkl)⟩|/ ΣhklΣ i Ii(hkl), where Ii(hkl) is the individual intensity of the ith observation of reflection hkl and ⟨I(hkl)⟩ is the average intensity of reflection hkl with summation over all data.b Wilson B calculated with the Sfcheck program from the CCP4 suite (CCP4, 1994).c R-value = ||Fo|—|Fc||/|Fo|, where Fo and Fc are the observed and calculated structure factors, respectively.d Rfree is equivalent to R value but is calculated for 5% of the reflections chosen at random and omitted from the refinement process [25].e as determined by MolProbity [26].Data collection statistics.