TABLE 1.

Diffraction data and structure refinement statistics

Numbers in parentheses correspond to the last resolution shell.

Diffraction Data
Wavelength (Å)	1.000
Space group	P212121
Cell parameters
a, b, c (Å)	73.6, 77.9, 217.7
α, β, γ (°)	90, 90, 90
Resolution range (Å)	50.0–2.84 (3.01–2.84)
Observed reflections	221,831
Unique reflections	30,300
Redundancy	7.3 (7.1)
I/σI	6.32 (0.6)
Completeness (%)	99.7 (98.2)
Wilson B factors (Å2)	60.3
Rmerge (%)a	34 (307.6)
CC½b	98.6 (25.2)
Refinement
Rworkc	0.237
Rfreed	0.287
Root mean square deviation
Bond (Å)	0.004
Angle (°)	0.588
Ramachandran plot (%)e	92.8, 7.1, 0.1

^a R_merge = Σ_hklΣ_i|I_i(hkl)_i − 〈I(hkl)〉|Σ_hklΣ_iI_i(hkl).

^b Pearson's correlation coefficient between average intensities of random half-datasets of the measurements for each unique reflection (16).

^c R_work = Σ_hkl‖F_obs(hkl)| − |F_calc(hkl)‖/Σ_hkl|F_obs(hkl)|.

^d R_free is the R value obtained for a test of reflections.

^e Residues in favored, allowed, and outlier regions calculated with the MolProbity server (20).