5VVL

Cas1-Cas2 bound to full-site mimic with Ni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-03-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	74.642, 197.728, 88.792
Unit cell angles	90.00, 111.35, 90.00

Refinement procedure

Resolution	39.504 - 3.310
R-factor	0.2262
Rwork	0.224
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ds5
RMSD bond length	0.003
RMSD bond angle	0.493
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.550	39.550	3.070
High resolution limit [Å]	2.960	11.480	2.960
Rmerge	0.203	0.037	4.410
Rmeas	0.220	0.040	4.792
Rpim	0.083	0.016	1.842
Total number of observations	329343
Number of reflections	47810
<I/σ(I)>	7.9
Completeness [%]	96.3	95.7	71.8
Redundancy	6.9	6.5	6.3
CC(1/2)	0.996	0.999	0.215

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	281	100 mM MES pH 6.4, 20% (w/v) PEG MME 2000, 0.2 M NaCl, 3 mM NiCl2