Table 1.

X-ray data collection and refinement statistics

	Wild-type EndoV (PC)	D43A EndoV (LRC, 5-BrU peak)
Data collection
Space group	I222	I222
Cell dimensions
a, b, c (Å)	55.06, 134.29, 194.45	51.98, 132.24, 191.62
α, β, γ (°)	90.0, 90.0, 90.0	90.0, 90.0, 90.0
Resolution (Å)	50 – 2.15 (2.23 – 2.15) *	50 – 2.10 (2.19 – 2.10)
Rsym (%)	7.8 (59.1)	5.3 (34.9)
I / σI	7.8 (2.6)	69 (5.9)
Completeness (%)	99.2 (98.9)	87.6 (62.0)
Redundancy	6.0 (5.6)	13.3 (10.6)
Refinement
Resolution (Å)	50 – 2.15	50 – 2.10
No. reflections	39299	32087
Rwork / Rfree (%)	25.9 / 28.8	21.6 / 25.8
No. atoms
Protein	3580	3574
Ligand/ion	435	648
Water	216	222
B-factors
Protein	44.5	54.7
Ligand/ion	66.0	74.1
Water	47.6	58.8
R.m.s. deviations
Bond lengths (Å)	0.006	0.006
Bond angles (°)	1.3	1.3

^*Values in parentheses are for highest-resolution shell (2.23 – 2.15 and 2.19 – 2.10 respectively)