6KC8

Crystal structure of WT Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in post-cleavage 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	2019-06-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	131.604, 159.517, 117.963
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.350 - 2.900
R-factor	0.2056
Rwork	0.203
R-free	0.25693
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jdv
RMSD bond length	0.008
RMSD bond angle	1.552
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.207	0.969
Rmeas	0.222	1.056
Rpim	0.079	0.409
Number of reflections	56256	2792
<I/σ(I)>	12.9	1.6
Completeness [%]	99.8	99.7
Redundancy	7	5.6
CC(1/2)	0.986	0.112

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.2	289	19% PEG 3350, 0.2M Na citrate, 0.1M Bis-Tris propane pH 7.2