X-ray data collection and refinement statistics.

a Numbers in parenthesis are for the highest resolution shell. b Rmerge = ∑hkl(∑i(|Ihkl,i-hkl>I))/∑hkl,ihkl>, where Ihkl,i is the intensity of an individual measurement of thereflection with Miller indices h, k and l, and is the mean intensity of that reflection. Calculated for I>-3σ (I). c Rcryst = ∑hkl(||Fobshkl|-|Fcalchkl||)/|Fobshkl|, where |Fobshkl| and |Fcalchkl| are the observed and calculated structure factor amplitudes, respectively. d Rfreeis equivalent to Rcryst but calculated with reflections (5%) omitted from the refinement. e Calculated with Phenix [42]. f Calculated with MolProbity[43]. X-ray data collection and refinement statistics.