5VVJ

Cas1-Cas2 bound to half-site intermediate

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]	80
Detector technology	PIXEL
Collection date	2017-04-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	75.067, 183.113, 196.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	134.096 - 3.890
R-factor	0.2903
Rwork	0.288
R-free	0.32900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ds5
RMSD bond length	0.003
RMSD bond angle	0.540
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	196.920	196.920	3.410
High resolution limit [Å]	3.280	11.820	3.280
Rmerge	0.668	0.064	10.316
Rmeas	0.697	0.068	11.565
Rpim	0.195	0.022	4.940
Number of reflections	40983
<I/σ(I)>	3.3
Completeness [%]	96.1	100	66.4
Redundancy	12.3	9.7	3.9
CC(1/2)	0.998	0.999	0.057

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	281	100 mM MES, pH 6.5, 10% (w/v) poly(ethylene glycol) (PEG) monomethyl ether (MME) 5000, 12% (v/v) propanol