4K97

Structure of Ternary Complex of cGAS with dsDNA and Bound ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	200
Detector technology	CCD
Collection date	2013-02-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9823
Spacegroup name	I 2 2 2
Unit cell lengths	86.204, 99.373, 131.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.690 - 2.410
R-factor	0.197
Rwork	0.193
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.190
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	2.540
High resolution limit [Å]	2.410	2.410
Number of reflections	22099
Completeness [%]	99.6	97.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	293	0.1 M HEPES, 0.2 M CaAc2, 20% PEG300, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K