4K98

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

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	2013-02-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	85.375, 97.877, 133.465
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.453 - 1.940
R-factor	0.1593
Rwork	0.157
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.183
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]	50.000	2.040
High resolution limit [Å]	1.940	1.940
Number of reflections	41225
Completeness [%]	98.9	93.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M NaAc, 10% MPD, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K