6AEG

Crystal structure of xCas9 in complex with sgRNA and target DNA (GAT PAM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9789
Spacegroup name	C 1 2 1
Unit cell lengths	190.480, 70.460, 183.529
Unit cell angles	90.00, 106.48, 90.00

Refinement procedure

Resolution	44.972 - 2.701
R-factor	0.2164
Rwork	0.215
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aeb
RMSD bond length	0.005
RMSD bond angle	0.762
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.082
Number of reflections	60687
<I/σ(I)>	9.1
Completeness [%]	94.1
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Hepes, pH 7.5, 0.2M Ammonium sulfate, 10% ispropanol, 16% (w/v) PEG4000, 30%(v/v) (+/-)-2-Methyl-2,4-pentanediol