6JFU

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97916
Spacegroup name	C 2 2 21
Unit cell lengths	153.477, 166.933, 179.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.681 - 3.200
R-factor	0.2543
Rwork	0.254
R-free	0.27070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jdv
RMSD bond length	0.003
RMSD bond angle	0.649
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	3.260
High resolution limit [Å]	3.200	3.200
Rmerge	0.243	0.739
Rmeas	0.261	0.810
Rpim	0.093	0.323
Number of reflections	38356	1879
<I/σ(I)>	10.2	2.8
Completeness [%]	99.7	99.6
Redundancy	7.3	5.7
CC(1/2)	1.000	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.6	289	10% PEG 6000, 1.2M LiCl, 0.1M citrate acid pH 5.6, 4% 1,1,1,3,3,3-Hexafluoro-2-propanol