TABLE 2.

Diffraction data

	PDB code 3E4C
Space group	P1
Unit cell constants	a = 56.1 Å, b = 58.0 Å, c = 119.6 Å
	α = 105.95°, β = 90.85°, γ = 92.77°
Resolution	20 to 2.05 Å (2.12 to 2.05 Å)a
Rsymb	0.058 (0.414)a
<I/σI>	11.2 (1.75)a
No. of reflections	114,926
No. of unique reflections	37,223
Completeness	97.0% (87.4%)a
Refinement
Resolution	20 to 2.05 Å
No. of reflections	35,359
Rwork, Rfreec	0.201, 0.264
No. of non-H atoms	4,423
B-factors
Overall	36.8 Å2
Wilson-plot derived	37.5 Å2
Atoms at 0.5 occupancy	81.2 Å2
r.m.s.d. bond length	0.012 Å
r.m.s.d. angles	1.4°
Ramachandran plotd	86.0, 12.7, 0.8, 0.4%

^aNumbers in parentheses refer to the highest resolution shell.

^bR_sym = ∑|I - <I>|/∑I, where <I> is the average intensity of symmetry related observations of a unique reflection.

^cR_work = ∑|F_o - F_c|/∑F_o, where F_o and F_c are the observed and calculated structure factor amplitudes, respectively. R_free is the R-factor for a randomly selected 10% of the reflections excluded from all refinement.

^dPercentage of residues in the most favored, additionally allowed, generously allowed, and disallowed regions of a Ramachandran plot (34).