8G2Q

Structure of Ternary Complex of mouse cGAS with dsDNA and Bound GTP

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)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	78.294, 98.675, 142.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.930 - 2.370
R-factor	0.2034
Rwork	0.202
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.086
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]	29.660	2.450
High resolution limit [Å]	2.370	2.370
Rmerge	0.085	0.804
Rmeas	0.092	0.870
Rpim	0.036	0.328
Total number of observations	305132	28408
Number of reflections	45595	4211
<I/σ(I)>	11.8	2.4
Completeness [%]	99.5
Redundancy	6.7	6.7
CC(1/2)	0.998	0.781

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