6KC7

Crystal structure of Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in seed-base paring state

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	2019-05-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97919
Spacegroup name	C 1 2 1
Unit cell lengths	235.579, 72.513, 115.154
Unit cell angles	90.00, 104.67, 90.00

Refinement procedure

Resolution	46.200 - 3.300
R-factor	0.2536
Rwork	0.253
R-free	0.27450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jdq
RMSD bond length	0.010
RMSD bond angle	1.110
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	3.420
High resolution limit [Å]	3.300	3.300
Rmerge	0.095	0.906
Rmeas	0.110	1.048
Rpim	0.053	0.516
Number of reflections	28597	2824
<I/σ(I)>	15.9	1.6
Completeness [%]	99.9	99.9
Redundancy	4.1	3.9
CC(1/2)	0.991	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	289	0.2M Na nitrate, 0.1M Bis-Tris propane pH 8.0, 20% PEG 3350