5DQZ

Crystal Structure of Cas-DNA-PAM 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	2015-05-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	73.771, 193.380, 193.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.534 - 2.700
R-factor	0.1987
Rwork	0.197
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p6i
RMSD bond length	0.005
RMSD bond angle	0.979
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	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.113	0.044
Total number of observations	590102
Number of reflections	76448
<I/σ(I)>	7.8
Completeness [%]	99.5	96.2	99.6
Redundancy	7.7	7.1	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	50mM Na cacodylate,0.9mM spermine,18mM Magnesium chloride, 1.8mM Cobalt chloride, 9% isopropanol