6CTA

Structure of the human cGAS-DNA complex with 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]	80
Detector technology	PIXEL
Collection date	2017-12-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97918
Spacegroup name	P 61 2 2
Unit cell lengths	99.782, 99.782, 236.769
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.834 - 2.779
R-factor	0.2142
Rwork	0.211
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4km5
RMSD bond length	0.002
RMSD bond angle	0.543
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.150	2.950
High resolution limit [Å]	2.779	2.790
Rpim	0.086	1.180
Number of reflections	18321
<I/σ(I)>	10	1.6
Completeness [%]	99.8	98.5
Redundancy	19.5	18.2
CC(1/2)	0.998	0.319

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M HEPES-NaOH pH 7.0, 1.4 M sodium citrate