5VW1

Crystal structure of SpyCas9-sgRNA-AcrIIA4 ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 2 21 21
Unit cell lengths	72.194, 101.242, 303.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.021 - 2.598
R-factor	0.1805
Rwork	0.178
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zt0
RMSD bond length	0.009
RMSD bond angle	1.053
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.598	5.600	2.600
Rmerge	0.092	0.042	0.497
Rmeas	0.104	0.048	0.574
Rpim	0.048	0.021	0.276
Number of reflections	65656
<I/σ(I)>	7.1
Completeness [%]	94.6	97.8	72.1
Redundancy	4.3	4.8	3.4
CC(1/2)		0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.2	293	0.1 M HEPES (pH 7.5), and 15% PEG3350 (v/v)