Crystallographic data processing and refinement statistics of AlaA.

aHighest resolution shell is shown in parentheses.
bRmeas = Σηκλ (n/n−1)1/2 Σi |Ii(hkl)−<I(hkl)>|/ΣΣι Ii(hkl); Rpim = Σηκλ (1/n−1)1/2 Σi |Ii(hkl)−<I(hkl)>|/ΣΣι Ii(hkl); where i is the ith measurement of reflection (hkl) and <I(hkl)> is the average over symmetry related observations of a unique reflection (hkl).
cCC1/2 is the Pearson correlation coefficient calculated between two random half data sets; CC* is the CC of the full data set against the true intensities, estimated from CC* = [2 CC1/2/(1+CC1/2)]1/2.
dB-factors shown for chains A and B (except water molecules).
eR.m.s. deviations on B-factors for bonded atoms (all protein atoms/main chain-main chain atoms/side chain-side chain atoms/main chain-side chain atoms) and for non-bonded atoms; calculated with MOLEMAN2 [59].