4QR1

Crystal structure of Streptococcus pyogenes Cas2 at pH 6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-20
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	55.054, 55.054, 117.215
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.830 - 2.193
R-factor	0.21026
Rwork	0.207
R-free	0.26656
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4es2
RMSD bond length	0.015
RMSD bond angle	1.677
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.193	2.193
Rmerge		0.538
Number of reflections	9551
<I/σ(I)>	15.55	6.58
Completeness [%]	96.8	100
Redundancy	12.8	13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	30% (w/v) PEG 8000, 200mM Na acetate, 100mM Na cacodylate pH 6.5 , VAPOR DIFFUSION, SITTING DROP, temperature 293K