9J2Y

Human cGAS catalytic domain bound with G150

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	214.666, 47.207, 87.243
Unit cell angles	90.00, 113.92, 90.00

Refinement procedure

Resolution	19.750 - 2.080
R-factor	0.2234
Rwork	0.222
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lev
RMSD bond length	0.005
RMSD bond angle	0.794
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.750	1.720
High resolution limit [Å]	1.660	1.660
Rmerge	0.062
Rmeas	0.068	41.976
Number of reflections	63881	558
<I/σ(I)>	11.5
Completeness [%]	67.3
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	18-20% V/V PEG 3350, 0.2 M AMMONIUM CITRATE