5VVK

Cas1-Cas2 bound to full-site mimic

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	2017-04-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1158
Spacegroup name	P 1 21 1
Unit cell lengths	74.900, 197.612, 95.344
Unit cell angles	90.00, 112.70, 90.00

Refinement procedure

Resolution	98.806 - 2.900
R-factor	0.2185
Rwork	0.217
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ds5
RMSD bond length	0.003
RMSD bond angle	0.533
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]	197.610	197.610	2.830
High resolution limit [Å]	2.760	12.640	2.760
Rmerge	0.146	0.027	3.689
Rmeas	0.158	0.029	4.055
Rpim	0.059	0.011	1.637
Number of reflections	64543
<I/σ(I)>	10.4
Completeness [%]	98.1	99.5	74.6
Redundancy	7.2	6.9	5.3
CC(1/2)	0.998	0.999	0.248

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	291	100 mM MES pH, 20% (w/v) PEG MME 2000, 0.2 M NaCl