8IMG

Human cGAS catalytic domain bound with C20

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-10-13
Detector	MAR CCD 165 mm
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	214.057, 46.045, 86.849
Unit cell angles	90.00, 113.94, 90.00

Refinement procedure

Resolution	35.680 - 1.800
R-factor	0.2244
Rwork	0.223
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.810
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.620	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.137	2.289
Rmeas	0.150	2.509
Rpim	0.060	1.011
Number of reflections	72429	5327
<I/σ(I)>	6.8	1.6
Completeness [%]	100.0
Redundancy	6.3	6.3
CC(1/2)	0.989	0.353

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	18-20% V/V PEG 3350, 0.2 M AMMONIUM CITRATE