7QR8

SpCas9 bound to PTPRC off-target1 DNA substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-03
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	178.278, 68.029, 186.741
Unit cell angles	90.00, 110.74, 90.00

Refinement procedure

Resolution	48.120 - 2.750
R-factor	0.2229
Rwork	0.222
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fq5
RMSD bond length	0.004
RMSD bond angle	0.623
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.120	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.180	1.780
Number of reflections	54916	5429
<I/σ(I)>	11.5	1
Completeness [%]	99.9
Redundancy	6.9
CC(1/2)	0.998	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	0.1 M Tris-acetate pH 8.5, 0.3-0.5 M KSCN, 17-19% PEG3350