Data statistics.

Values in the parentheses are for the highest resolution shell.

R_merge = Σ_hΣ_j|<I>_h−I_h,j|/Σ_hΣ_jI_h,j, where <I>_h is the mean intensities of symmetry-equivalent reflections.

R_work = Σ_h|F_o−F_c|/Σ_hF_o, where F_o and F_c are the observed and calculated structure factor amplitudes, respectively.

R_free value was calculated for R factor, using only a test set of reflections (5% of the total) not used in the refinement.

Ramachandran plot was evaluated using Molprobity [32].