8SHY

Structure of binary complex of mouse cGAS QN 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, 60.968, 104.352
Unit cell angles	90.00, 94.59, 90.00

Refinement procedure

Resolution	27.940 - 1.770
R-factor	0.2044
Rwork	0.204
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k8v
RMSD bond length	0.008
RMSD bond angle	0.941
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	1.800
High resolution limit [Å]	1.770	1.770
Rmerge	0.083	0.665
Rmeas	0.098	0.781
Rpim	0.052	0.406
Total number of observations	188329	10555
Number of reflections	53469	2985
<I/σ(I)>	8.1	1.7
Completeness [%]	99.3
Redundancy	3.5	3.5
CC(1/2)	0.990	0.793

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