6MJW

human cGAS catalytic domain bound with the inhibitor G150

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	2018-04-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 64
Unit cell lengths	116.531, 116.531, 60.037
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.347 - 2.405
R-factor	0.2173
Rwork	0.213
R-free	0.25720
RMSD bond length	0.004
RMSD bond angle	0.546
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]	29.350	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.055
Rmeas	0.058	0.572
Rpim	0.018	0.227
Number of reflections	17953	1719
<I/σ(I)>	26.3	2.4
Completeness [%]	98.4	93.2
Redundancy	9	4.4
CC(1/2)	0.997	0.810

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