9J2G

Crystal structure of Nme1Cas9 HNH domain bound to anti-CRISPR AcrIIC1Vei

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 65
Unit cell lengths	76.240, 76.240, 89.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.970 - 2.080
R-factor	0.1734
Rwork	0.172
R-free	0.19170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.553
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.970	2.154
High resolution limit [Å]	2.080	2.080
Number of reflections	17757	1760
<I/σ(I)>	15.3
Completeness [%]	100.0
Redundancy	20.7	19.3
CC(1/2)	0.998	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		289.15	30% v/v 2-Propanol, 100 mM TRIS /Hydrochloric Acid; pH 8.5, 30% w/v PEG 3350