8GIS

Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.5mM 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	78.056, 98.218, 142.465
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.540 - 2.460
R-factor	0.1938
Rwork	0.192
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.073
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]	29.540	2.560
High resolution limit [Å]	2.460	2.460
Rmerge	0.097	0.546
Rmeas	0.107	0.616
Rpim	0.044	0.280
Total number of observations	225388	19823
Number of reflections	40447	4301
<I/σ(I)>	10.3	2.6
Completeness [%]	99.4
Redundancy	5.6	4.6
CC(1/2)	0.996	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