8G10

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920
Spacegroup name	P 21 21 21
Unit cell lengths	78.012, 98.659, 142.275
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.640 - 2.470
R-factor	0.1953
Rwork	0.194
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.154
Data reduction software	XDS (20210205)
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP (11.7.03)
Refinement software	PHENIX (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.640	2.570
High resolution limit [Å]	2.470	2.470
Rmerge	0.079	0.740
Rmeas	0.086	0.801
Rpim	0.033	0.304
Total number of observations	271518	29447
Number of reflections	40157	4379
<I/σ(I)>	13.7	2.6
Completeness [%]	99.7
Redundancy	6.8	6.7
CC(1/2)	0.999	0.802

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