6JOO

Crystal structure of Corynebacterium diphtheriae Cas9 in complex with sgRNA and target DNA

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	2015-10-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	139.015, 118.999, 116.272
Unit cell angles	90.00, 113.59, 90.00

Refinement procedure

Resolution	67.945 - 2.900
R-factor	0.2223
Rwork	0.221
R-free	0.25380
Structure solution method	SAD
Data reduction software	DIALS
Data scaling software	Aimless (0.5.32)
Phasing software	AutoSol
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	106.560	106.560	3.030
High resolution limit [Å]	2.900	10.050	2.900
Rmerge	0.168	0.071	3.024
Rmeas	0.175	0.074	3.142
Rpim	0.047	0.021	0.844
Total number of observations	515857
Number of reflections	38524	962	4704
<I/σ(I)>	10.2
Completeness [%]	100.0	99.6	100
Redundancy	13.4	12.7	13.5
CC(1/2)	0.999	0.999	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	24% PEG 3350, 0.3 M potassium fluoride, 0.2 M lithium sulfate, 0.1 M TRIS hydrochloride