4K9A

Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pG(2 ,5 )pA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	200
Detector technology	CCD
Collection date	2013-03-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	I 2 2 2
Unit cell lengths	85.415, 98.018, 131.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.554 - 2.264
R-factor	0.1718
Rwork	0.168
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.433
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.600	2.380
High resolution limit [Å]	2.260	2.260
Number of reflections	25590
Completeness [%]	98.3	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M MES, 40% MPD, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K