Table 1.

Data collection and refinement statistics

Data collection
Space group	P212121
Cell, a, b, c, Å	65.09, 71.23, 105.21
Molecules per AU	2
Resolution, Å*	65.1−1.50 (1.58−1.50)
Unique reflections	76,025
Completeness, %*	96.6 (83.4)
Multiplicity*	5.6 (4.6)
Rmerge, %*†	6.6 (22.9)
<I/σI>*	17.7 (5.6)
Wilson B value, Å2	13.8
Refinement
Number of atoms
Protein‡	3,119
Water	434
Zinc	2
PhiKan083	18
Rcryst, %§	18.6
Rfree, %§	20.8
rmsd bonds, Å	0.009
rmsd angles, °	1.5
Mean B value, Å2	15.9
Ramachandran plot statistics¶
Most favored/additional allowed, %	91.0/9.0
Generously allowed/disallowed, %	0/0

*Values in parentheses are for the highest-resolution shell.

^†R_merge = Σ(I_h,i− 〈I_h〉)/ΣI_h,i.

^‡Number includes alternative conformations.

^§R_cryst and R_free = Σ||F_obs|− |F_calc||/Σ|F_obs|, where R_freewas calculated over 5% of the amplitudes chosen at random and not used in the refinement.

^¶Calculated with PROCHECK (43).