9J1Z

Crystal structure of Nme1Cas9 HNH domain bound to anti-CRISPR AcrIIC1Nme1ST

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	45.961, 47.633, 61.716
Unit cell angles	107.44, 97.49, 115.25

Refinement procedure

Resolution	28.950 - 1.910
R-factor	0.1837
Rwork	0.182
R-free	0.21680
Structure solution method	AB INITIO PHASING
RMSD bond length	0.003
RMSD bond angle	0.631
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.079	0.109	0.277
Rmeas	0.093	0.129	0.342
Rpim	0.049	0.068	0.197
Total number of observations	111483
Number of reflections	32382	1637	1553
<I/σ(I)>	30.3
Completeness [%]	97.8	99	95.8
Redundancy	3.4	3.5	2.7
CC(1/2)	0.963	0.929	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		289.15	0.1 M Sodium citrate tribasic dihydrate pH 5.0, 10% w/v Polyethylene glycol 6,000