8SKT

Structure of ternary complex of mouse cGAS with dsDNA and bound ATP with 5 mM 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)	1.8914
Spacegroup name	P 21 21 21
Unit cell lengths	78.026, 98.394, 142.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.580 - 2.690
R-factor	0.2012
Rwork	0.199
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lez
RMSD bond length	0.009
RMSD bond angle	1.073
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]	29.580	2.820
High resolution limit [Å]	2.690	2.690
Rmerge	0.101	0.687
Rmeas	0.109	0.747
Rpim	0.042	0.289
Total number of observations		25955
Number of reflections	58811	4001
<I/σ(I)>	12.2	2.6
Completeness [%]	99.6
Redundancy	6.6	6.5
CC(1/2)	0.998	0.824

Crystallization Conditions

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