6AI6

Crystal structure of SpCas9-NG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	177.377, 68.568, 187.968
Unit cell angles	90.00, 111.51, 90.00

Refinement procedure

Resolution	48.166 - 2.700
R-factor	0.2193
Rwork	0.218
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4un3
RMSD bond length	0.002
RMSD bond angle	0.452
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.170	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.099	1.202
Rpim	0.063	0.778
Number of reflections	58235	4509
<I/σ(I)>	9.5
Completeness [%]	100.0
Redundancy	3.5
CC(1/2)	0.992	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Tris-acetate, pH 8.0, KSCN, PEG 3350