5B2T

Crystal structure of the Streptococcus pyogenes Cas9 VRER variant in complex with sgRNA and target DNA (TGCG PAM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	176.967, 69.448, 188.199
Unit cell angles	90.00, 109.67, 90.00

Refinement procedure

Resolution	49.011 - 2.200
R-factor	0.205
Rwork	0.204
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4un3
RMSD bond length	0.002
RMSD bond angle	0.434
Data scaling software	Aimless
Refinement software	PHENIX (1.10_2155: ???)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.011	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	103625
<I/σ(I)>	11.2
Completeness [%]	94.7
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	15-17% PEG 3350, 0.4 M KSCN, 0.1 M Tris-acetate