Table I.

Data Collection and Refinement Statistics

Data processing statistics	EcMscS	HpMscS
Unit cell dimensions	128.2	113.9
(a, b, and c) (Å)	150	143.1
Space group P212121	175.8	178.4
Wavelength (Å)	0.9795	1
Resolution (Å)a	46.6–4.37	46.1–4.14
	(4.48–4.37)	(4.25–4.14)
Unique reflections	22,521	22,539
Redundancy	6.6	3.6
Completeness (%)	99.6(99.8)	98.8(98.4)
I/σ	18.1(3.9)	13.6(2.2)
Rmergea,b	0.053(0.552)	0.048(0.755)
Refinement statistics
Resolution(Å) a	37.9–4.37	44.5–4.14
	(4.57–4.37)	(4.36–4.14)
R-worka,c	0.267(0.295)	0.283(0.393)
R-freea,c	0.288(0.331)	0.311(0.444)
Average B factor (Å b)	192	172
rmsd bond length (Å)	0.006	0.015
rmds bond angle (°)	1.11	2.22
Ramachandran plot (favored, allowed, outliers, %) d	91, 8, 1	94, 6, 0

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

^bR_merge(I) = ∑_hkl((∑_i|I_hkl,i − <I_hkl>|)/∑_iI_hkl,i).

^cR_cryst = ∑_hkl (|Fobs| − |Fcalc|) /∑_hkl|Fobs|. R_free was computed identically, except that ∼5% of the reflections were omitted as a test set.

^dAssigned with PHENIX.²⁸