4KM5

X-ray crystal structure of human cyclic GMP-AMP synthase (cGAS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	77
Detector technology	PIXEL
Collection date	2013-03-06
Detector	PSI PILATUS 6M
Wavelength(s)	1.28180
Spacegroup name	P 21 21 2
Unit cell lengths	46.454, 162.700, 58.407
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.445 - 2.499
R-factor	0.2253
Rwork	0.225
R-free	0.23990
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.661
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	47.445
High resolution limit [Å]	2.499
Number of reflections	16035
Completeness [%]	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	0.044M potassium chloride, 0.01M magnesium chloride, 0.025M Tris pH 7.0, 0.015M Tris pH 9.0, 6.9% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	0.044M potassium chloride, 0.01M magnesium chloride, 0.025M Tris pH 7.0, 0.015M Tris pH 9.0, 6.9% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K