8SHZ

Structure of human cGAS

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	2020-09-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9200
Spacegroup name	P 21 2 21
Unit cell lengths	47.903, 59.550, 124.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.960 - 2.400
R-factor	0.2165
Rwork	0.212
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4km5
RMSD bond length	0.008
RMSD bond angle	0.981
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]	28.960	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.048	0.144
Rmeas	0.053	0.159
Rpim	0.022	0.066
Total number of observations		8173
Number of reflections	26655	1475
<I/σ(I)>	23.3	10
Completeness [%]	99.5
Redundancy	5.8	5.5
CC(1/2)	0.998	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298.15	0.1 M Tris, pH 8.5, 8% w/v PEG8000