5VGB

Crystal structure of NmeCas9 HNH domain bound to anti-CRISPR AcrIIC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.115830
Spacegroup name	P 21 21 21
Unit cell lengths	46.164, 60.487, 77.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.641 - 1.497
R-factor	0.1665
Rwork	0.164
R-free	0.20980
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.816
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	SOLVE
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.640	47.640	1.520
High resolution limit [Å]	1.490	8.180	1.490
Rmerge	0.103	0.028	2.505
Rmeas	0.113	0.031	2.764
Rpim	0.044	0.012	1.141
Total number of observations	228832
Number of reflections	35654	277	1526
<I/σ(I)>	9.8	29.5	1
Completeness [%]	99.4
Redundancy	6.4	5.9	5.5
CC(1/2)	0.998	0.999	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.25	291.15	200 mM Ammonium sulfate, 0.1 M Sodium acetate, 22% PEG 4,000