8GIO

Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.1mM Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.891
Spacegroup name	P 21 21 21
Unit cell lengths	77.594, 98.624, 141.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.800 - 2.670
R-factor	0.1856
Rwork	0.183
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.066
Data reduction software	XDS (20210205)
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP (11.7.03)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.800	2.800
High resolution limit [Å]	2.670	2.670
Rmerge	0.097	0.573
Rmeas	0.107	0.634
Rpim	0.044	0.269
Total number of observations	178609	21547
Number of reflections	31582	3957
<I/σ(I)>	11.1	3.1
Completeness [%]	99.4
Redundancy	5.7	5.4
CC(1/2)	0.997	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	0.2 M ammonium acetate, 32% MPD, with 0.1 M Bis-Tris pH 6.5