Table 1: Data collection and refinement statistics.

Numbers in parentheses account for the shell of highest resolution.

	Cnx1E+AMP	Cnx1E+Mo	Cnx1E+W
Data collection
Wavelength (Å)	0.9184	1.7700	1.2094
Space group	I222
Unit cell parameters
a (Å)	66.13 ± 0.04	67.11 ± 0.04	65.50 ± 0.05
b (Å)	123.11 ± 0.05	123.59 ± 0.04	123.47 ± 0.08
c (Å)	132.11 ± 0.05	131.78 ± 0.03	133.60 ± 0.09
α≡β≡γ (°)	:= 90	:= 90	:= 90
Resolution (Å)
dhkl,max – dhkl,min	45.14–1.72 (1.95–1.72)	45.07–1.78 (1.96–1.78)	42.58–1.64 (1.77–1.64)
dh00,min	2.05	2.29	1.78
d0k0,min	2.17	2.20	2.01
d00l,min	1.72	1.78	1.64
deffa [dopt]	1.95 [~1.7]	2.02 [~1.8]	1.78 [~1.7]
No. of reflections
total	170,016 (11,741)	531,596 (16,809)	753,889 (43,169)
unique	38,415 (2,744)	34,559 (1,728)	50,634 (2,532)
Completeness
spherical	0.668 (0.151)	0.656 (0.132)	0.757 (0.184)
ellipsoidalb	0.954 (0.800)	0.947 (0.778)	0.960 (0.758)
Multiplicity	4.4 (4.3)	15.4 (9.7)	14.9 (17.0)
Mean I/σ(I)	8.1 (1.7)	26.6 (1.5)	21.7 (1.6)
Wilson B (Å2)	22.9	29.1	31.7
Rmerge	0.090 (0.659)	0.053 (1.268)	0.057 (1.864)
Rmeas	0.117 (0.865)	0.056 (1.413)	0.061(1.980)
Rpim	0.073 (0.555)	0.020 (0.610)	0.022 (0.665)
CC1/2	0.995 (0.674)	1.000 (0.719)	0.999 (0.818)
Refinement
No. of reflections used	38,404 (2,744)	34,543 (1,691)	50,624 (2,532)
Rwork / Rfree	0.1774 / 0.2088	0.1726 / 0.2160	0.1862 (0.2000)
No. of non-hydrogen atoms
total	3,548	3,647	3,493
in protein	3,156	3,193	3,139
in ligands	26	27	29
in ordered solvent	366	427	325
Atomic B-factors (Å2)
Average	31.7	39.2	42.1
Protein/Ligands/Solvent	30.9 / 46.3 / 38.0	37.9 / 48.9 / 48.1	41.5 / 53.3 / 47.8
No. of amino acid residues
total / ordered	470 / 419	470 / 422	470 / 422
RMSD from ideal
bonds (Å)	0.014	0.014	0.014
angles (°)	1.65	1.95	1.65
Ramachandran (%)
favored	98.54	98.56	95.56
allowed	1.22	1.20	1.20
outliers	0.24	0.24	0.24

^aEffective (d_eff) and corresponding optical (d_opt) resolution of the dataset determined with EFRESOL [43].

^bData completeness for a volume in reciprocal space bounded by an ellipsoid centered on {000} and with the dimensions a= 1/d_h00,min, b= 1/d_0k0,min, c= 1/d_00l,min.