Table 1. Crystallographic Data Collection and Refinement Statistics for Cas9-sgRNA-PAM DNA Complexes.

Dataset (Cas9)	VQR	EQR	VRER
PAM sequence	NGAG	NGAG	NGCG
X-ray source	SLS PXIII	SLS PXIII	SLS PXIII
Space group	C2	C2	C2
Cell dimensions
a, b, c (Å)	176.6, 67.0, 187.2	177.7, 68.2, 188.2	177.5, 67.8, 187.7
α, β, γ (°)	90.0, 111.1, 90.0	90.0, 110.9, 90.0	90.0, 111.1, 90.0
Wavelength (Å)	1.00000	1.00000	1.00000
Resolution (Å)*	47.62–2.50 (2.65–2.50)	48.25–2.68 (2.75–2.68)	47.98–2.70 (2.77–2.70)
Rsym (%)*	9.6 (77.0)	12.3 (77.4)	12.7 (89.5)
I/σI*	11.9 (1.7)	13.2 (2.2)	13.2 (1.9)
Completeness (%)*	99.4 (98.2)	99.3 (91.7)	99.9 (100.0)
Redundancy*	3.5 (3.6)	7.0 (6.5)	7.0 (6.6)
Refinement
Resolution (Å)	47.62–2.50	48.25–2.68	47.98–2.70
No. reflections	71,146	59,668	57,665
Rwork / Rfree	0.218 / 0.254	0.205 / 0.236	0.218 / 0.247
No. atoms
Macromolecules	13,198	13,289	13,349
Ion	15	15	15
Water	264	130	85
B-factors
mean	52.5	47.6	55.7
Macromolecules	52.7	47.7	55.7
Ion	64.2	70.7	74.7
Water	44.8	41.8	47.4
Rmsds
Bond lengths (Å)	0.014	0.004	0.004
Bond angles (°)	0.82	0.79	0.88
Ramachandran plot
% favored	98.2	97.2	95.1
% allowed	1.8	2.8	4.9
% outliers	0.0	0.1	0.0
Molprobity
Clashscore	10.4	9.5	11.2

^*Values in parentheses denote highest resolution shell