Table 1. Crystallographic Data and Refinement Statistics.

Data Collection		Refinement
Cell dimensions (Å)	a = b = 71.9	Number of reflections: working/free	12,591/394
	c = 140.9	R factor (%)c
		Working set	26.3
Space group	P3221	Test set	29.4
X-ray wavelength (Å)	0.979	Rmsd from ideality
Resolution range (Å)	50–2.6	Bond length (Å)	0.0252
Number of observations	62,468	Bond angles (°)	2.417
Number of unique reflections	13,020	Most favored region (%)d	77.0
Completeness (%)a	97.4 (77.7)	Additional allowed region (%)d	23.0
Rsym(%)a,b	11.2 (48.6)	Disallowed region (%)d	0.0

^aNumbers in parentheses represent values in the highest resolution shell.

^b ${\mathrm{R}}_{\text{sym}}=\sum _h\sum _n\left|I–\langle I\rangle \right|I\sum _h\sum _n\langle I\rangle$, where I is observed integrated intensity and <I> is the averaged integrated intensity taken over n measurements for reflection h.

^c $\text{R factor}=\sum _h|\left|F_o\right|–\left|F_c\right||I\sum _h|F_o|$, where F_o is the observed structure factor amplitude and F_c is the calculated structure factor amplitudes based on the refined atomic positions, taken over the h reflections in the observed data set.

^dIn the Ramachandran plot.