4N77

Crystal structure of Cas protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97
Spacegroup name	P 41 21 2
Unit cell lengths	62.618, 62.618, 93.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.003 - 1.999
R-factor	0.1723
Rwork	0.169
R-free	0.23120
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.216
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	1.999	1.999
Rmerge	0.120	0.511
Number of reflections	13127
<I/σ(I)>	23.5	5
Completeness [%]	99.5	99.5
Redundancy	6.8	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	0.1M Tris.HCl, 5% PEG8000, 28% PEG300, 10% Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	0.1M Tris.HCl, 5% PEG8000, 28% PEG300, 10% Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K