8GIP

Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.040mM 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	77.933, 98.397, 142.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.790 - 2.700
R-factor	0.1885
Rwork	0.186
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.105
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]	29.790	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.095	0.524
Rmeas	0.107	0.587
Rpim	0.048	0.260
Total number of observations	141793	18285
Number of reflections	30287	3871
<I/σ(I)>	9.8	2.6
Completeness [%]	98.6
Redundancy	4.7	4.7
CC(1/2)	0.997	0.861

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