TABLE 1.

Crystallography statistics

All numbers in parentheses refer to the highest resolution shell statistics.

Parameters	Values
Data collection
Space group	P1
Unit cell parameters	a = 50.5 Å, b = 70.6Å, c = 88.1 Å, α = 77.8°, β = 84.5°, γ = 80.1°
Wavelength (Å)	1.0
Resolution range (Å)	50–2.4
Redundancy	1.7
Unique reflections	37,777
Completeness (%)	81.8 (82.1)
I/σ(I)	9.0 (2.3)
Rsyma	0.074 (0.296)
Refinement
Resolution range (Å)	48.88–2.40 (2.49–2.40)
No. of reflections	37,316
R-Factor/Free R-factorb	0.205/0.280
No. of protein atoms	8,091
No. of magnesium ion atoms	2
No. of ligand atoms	66
No. of water molecules	87
Root mean square deviations
Bond lengths (Å)	0.009
Bond angles (degrees)	1.4
Average B-value (Å2)	51.6

^a R_sym = Σ|I_avg − Ii|/ΣIi, where Ii is the observed intensity and I_avg is the average intensity.

^b Free R-factor is calculated for 10% of randomly selected reflections excluded from refinement.