8GIM

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

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	77.899, 97.999, 142.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.690 - 2.630
R-factor	0.1922
Rwork	0.190
R-free	0.23020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.110
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]	29.690	2.760
High resolution limit [Å]	2.630	2.630
Rmerge	0.083	0.545
Rmeas	0.093	0.611
Rpim	0.041	0.273
Total number of observations	166554	19997
Number of reflections	32755	4139
<I/σ(I)>	11.3	2.7
Completeness [%]	99.3
Redundancy	5.1	4.8
CC(1/2)	0.997	0.837

Crystallization Conditions

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