6MJX

human cGAS catalytic domain bound with cGAMP

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	2018-06-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	128.006, 50.424, 59.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.984 - 2.600
R-factor	0.2257
Rwork	0.221
R-free	0.26500
RMSD bond length	0.005
RMSD bond angle	0.602
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]	29.984	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.070
Rmeas	0.083	0.313
Rpim	0.044	0.166
Number of reflections	11586	1186
<I/σ(I)>	15.4	4.5
Completeness [%]	92.7	97.9
Redundancy	3.4	3.1
CC(1/2)	0.952	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	0.1M Bicine 8.5, 10% PEG6000, final PH 9.0