8GIT

Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 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	2022-03-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.891
Spacegroup name	P 21 21 21
Unit cell lengths	77.600, 98.209, 142.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.770 - 2.720
R-factor	0.1871
Rwork	0.185
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.089
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]	29.770	2.850
High resolution limit [Å]	2.720	2.720
Rmerge	0.096	0.613
Rmeas	0.105	0.665
Rpim	0.040	0.254
Total number of observations	196892	25607
Number of reflections	29985	3883
<I/σ(I)>	12.1	2.8
Completeness [%]	99.7
Redundancy	6.6	6.6
CC(1/2)	0.998	0.857

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