6FJW

Streptococcus thermophilus Cas6

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-18
Detector	PSI PILATUS 6M
Wavelength(s)	0.979700
Spacegroup name	P 31 1 2
Unit cell lengths	91.469, 91.469, 72.419
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	79.214 - 2.700
R-factor	0.2171
Rwork	0.213
R-free	0.25190
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	0.537
Data reduction software	XDS
Data scaling software	SCALA (3.2.19)
Phasing software	SHELXDE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.214	79.214	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge	0.082	0.034	0.879
Rmeas	0.108	0.065	0.929
Rpim	0.024	0.016	0.209
Total number of observations	194927	6015	27661
Number of reflections	9685	340	1421
<I/σ(I)>	29.5	80.7	4.1
Completeness [%]	99.9	100	99.9
Redundancy	20.1	17.7	19.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Crystallization buffer was 0.1 M Tris-HCl (pH 8.5), 0.2 M CaCl2, 2.8% ethanol, 2.8% ethylene glycol, 2.8% 2-propanol,2.8% n-butanol, 2.8% 2-Methyl-2,4-pentanediol