5DQT

Crystal Structure of Cas-DNA-22 complex

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	2015-05-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	71.434, 194.955, 195.202
Unit cell angles	90.00, 90.22, 90.00

Refinement procedure

Resolution	48.800 - 3.100
R-factor	0.213
Rwork	0.211
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.291
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.082	0.044	0.670
Rmeas	0.097	0.051	0.813
Rpim	0.051	0.026	0.451
Total number of observations	274007
Number of reflections	91533
<I/σ(I)>	11.2
Completeness [%]	93.3	97	96.7
Redundancy	3	3.4	2.8
CC(1/2)		0.995	0.355

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	5% PEG8000,50mM Mes,200mM Potassium chloride,10mM Magnesium chloride