Table 1.

Data and refinement statistics

Resolution range, Å	40–2.0 (2.04–2.00)
〈I/σ(I)〉	23.2 (3.2)
Rmerge	0.080 (0.379)
Unique reflections	19,047
Completeness, %	93.2 (78.9)
Redundancy	4.2
Space group	P21
a, b, c, Å	34.56, 143.07, 36.45
α, β, γ, °	90, 117.96, 90
No. of monomers in the asymmetric unit	3
Rwork, %	24.5
Rfree, %	26.9
B, Å2	43
rmsd bond lengths, Å	0.015
rmsd angles, °	1.54
Water molecules	114
Ramachandran plot, %
Most favorable	89.2
Allowed	10.8
Not allowed	0

Last resolution shell statistics are shown in parentheses. The test set was composed of 10% of all reflections, and R_free was calculated with the formula for R_cryst using only test set reflections. R_merge = ∑_hkl(|I_hkl − 〈I〉|/∑_hklI_hkl). R_cryst = ∑_hkl (∥F_obs| − |F_calc∥/∑_hkl|F_obs|).