6JE3

Crystal structure of Nme2Cas9 in complex with sgRNA and target DNA (AGGCCC PAM) with 5 nt overhang

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	2018-12-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.06
Spacegroup name	C 2 2 21
Unit cell lengths	166.388, 165.974, 178.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.597 - 2.931
R-factor	0.2278
Rwork	0.227
R-free	0.25610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jdv
RMSD bond length	0.004
RMSD bond angle	0.832
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.980
High resolution limit [Å]	2.930	2.930
Rmerge	0.131	0.954
Rmeas	0.143	0.143
Rpim	0.058	0.457
Number of reflections	53110	2616
<I/σ(I)>	11.4	1.4
Completeness [%]	99.9	99.9
Redundancy	5.9	5.1
CC(1/2)	0.932	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.2	289	10% PEG 6000, 1M LiCl, 0.1M citric acid pH 5.2, 0.01M Spermidine