TABLE 1.

X-ray data collection and refinement statistics

Statistics for the highest resolution bin are in parentheses. r.m.s.d., root mean square deviation.

Data collection
Space group	P 32 2 1
Unit cell (Å, °)	a = 52.28, b = 52.28, c = 252.48
	α = β = 90.0 γ = 120.0
Wavelength (Å)	0.97959
Temperature (K)	100
Resolution (Å)	42.6-1.9 (1.95-1.9)
Observed reflections	32,810 (2,358)
Rinta	0.057 (0.560)
Average redundancy	6.7 (4.9)
〈I〉/〈σ(I)〉	20.5 (2.3)
Completeness, %	99.7 (99.0)
Refinement
R/Rfree	0.213 (0.304)/0.270 (0.358)
Protein atoms	2424
Water molecules	324
Other atoms	20
r.m.s.d. from ideal bond length (Å)b	0.02
r.m.s.d. from ideal bond anglesb	2.1°
Average B-factor for protein atoms (Å2)	30.3
Average B-factor for water molecules (Å2)	39.8
Ramachandran plot statistics (%)c
Allowed	100
Favored	98.3
Outliers	0

^a R_int = Σ|I − 〈I〉|/Σ|I|, where I is the intensity of an individual reflection, and 〈I〉 is the mean intensity of a group of equivalents, and the sums are calculated over all reflections with more than one equivalent measured.

^b From Ref. 23.

^c From Ref. 22.