8GIN

Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.015mM 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	77.392, 98.709, 142.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.780 - 2.750
R-factor	0.1829
Rwork	0.181
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.087
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]	29.780	2.900
High resolution limit [Å]	2.750	2.750
Rmerge	0.106	0.552
Rmeas	0.115	0.600
Rpim	0.045	0.233
Total number of observations	186375	24848
Number of reflections	28710	3913
<I/σ(I)>	10.8	3.1
Completeness [%]	99.0
Redundancy	6.5	6.4
CC(1/2)	0.997	0.867

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