8SHK

Structure of binary complex of mouse cGAS and bound ATP

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	2021-12-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	I 1 2 1
Unit cell lengths	88.112, 61.231, 105.727
Unit cell angles	90.00, 94.36, 90.00

Refinement procedure

Resolution	28.790 - 1.710
R-factor	0.195
Rwork	0.193
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lez
RMSD bond length	0.007
RMSD bond angle	0.852
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]	28.790	1.740
High resolution limit [Å]	1.710	1.710
Rmerge	0.067	0.817
Rmeas	0.080	0.974
Rpim	0.042	0.526
Total number of observations	210242	10278
Number of reflections	60461	3113
<I/σ(I)>	10.6	1.6
Completeness [%]	99.1
Redundancy	3.5	3.3
CC(1/2)	0.996	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate, pH 6.5, 20% w/v PEG8000