6JE9

Crystal structure of Nme1Cas9-sgRNA dimer mediated by double protein inhibitor AcrIIC3 monomers

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	2018-10-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97892
Spacegroup name	P 1 21 1
Unit cell lengths	112.844, 156.196, 151.600
Unit cell angles	90.00, 108.58, 90.00

Refinement procedure

Resolution	45.597 - 3.460
R-factor	0.2229
Rwork	0.221
R-free	0.26050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jdq
RMSD bond length	0.004
RMSD bond angle	0.869
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	3.520
High resolution limit [Å]	3.460	3.460
Rmerge	0.077	0.952
Rmeas	0.088	1.113
Rpim	0.042	0.567
Number of reflections	65468	3286
<I/σ(I)>	15.5	1
Completeness [%]	99.5	99.4
Redundancy	4.3	3.7
CC(1/2)	0.993	0.138

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	289	0.21M NaAc, 0.1 M NaAc pH 5.5, 0.04M tris HCl pH 7.5, 32% pentaerythritol propoxylate (5/4 PO/OH)