4QR2

Crystal structure of Streptococcus pyogenes Cas2 at pH 7.5

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	55.260, 55.260, 117.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.030 - 1.800
R-factor	0.18581
Rwork	0.183
R-free	0.23365
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4es2
RMSD bond length	0.020
RMSD bond angle	1.878
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]	50.030	1.860
High resolution limit [Å]	1.800	1.800
Rmerge		0.621
Number of reflections	17673
<I/σ(I)>	35.2	4.63
Completeness [%]	99.8	100
Redundancy	13.7	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25% (w/v) PEG 3350, 200mM MgCl2, 100mM HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K