6M0W

Crystal structure of Streptococcus thermophilus Cas9 in complex with the AGAA PAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	200
Detector technology	PIXEL
Collection date	2019-02-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	321.708, 75.333, 70.300
Unit cell angles	90.00, 93.47, 90.00

Refinement procedure

Resolution	48.874 - 2.760
R-factor	0.2217
Rwork	0.220
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5axw
RMSD bond length	0.006
RMSD bond angle	0.817
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.860
High resolution limit [Å]	2.755	5.940	2.760
Rmerge	0.109	0.048	0.712
Rmeas	0.119	0.052	0.784
Rpim	0.046	0.020	0.322
Number of reflections	43335	4493	4061
<I/σ(I)>	4.5
Completeness [%]	99.2	99.9	93.7
Redundancy	6.6	6.4	5.6
CC(1/2)		0.998	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	KCL, MgCL, BaCL2, MBP