Data statistics.
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Values in the parentheses are for the highest resolution shell.aRmerge = ΣhΣj|I>h−Ih,j|/ΣhΣjIh,j, where I>h is the mean intensities of symmetry-equivalent reflections.bRwork = Σh|Fo−Fc|/ΣhFo, where Fo and Fc are the observed and calculated structure factor amplitudes, respectively.cRfree value was calculated for R factor, using only a test set of reflections (5% of the total) not used in the refinement.dRamachandran plot was evaluated using Molprobity [32].
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2015-12-02



