6MJU

human cGAS catalytic domain bound with the inhibitor G108

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 64
Unit cell lengths	116.989, 116.989, 59.957
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.425 - 2.450
R-factor	0.2258
Rwork	0.222
R-free	0.25630
RMSD bond length	0.002
RMSD bond angle	0.519
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.430	2.490
High resolution limit [Å]	2.450	2.450
Rmerge	0.069
Rmeas	0.073	0.903
Rpim	0.023	0.384
Number of reflections	17109	1635
<I/σ(I)>	26.1	1.5
Completeness [%]	98.4	89.6
Redundancy	9.7	4.8
CC(1/2)	0.997	0.582

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.064 M sodium citrate 7.0, 0.1 M HEPES, pH 7.0, 10% PEG5000MME