4KB6

Structure of porcine cyclic GMP AMP synthase (CGAS) in complex with DNA, ATP and GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	77
Detector technology	PIXEL
Collection date	2013-03-14
Detector	PSI PILATUS 6M
Wavelength(s)	0.97626
Spacegroup name	C 2 2 21
Unit cell lengths	86.280, 111.890, 117.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.325 - 3.075
R-factor	0.2547
Rwork	0.255
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jlx
RMSD bond length	0.004
RMSD bond angle	0.888
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	999.000	999.000	3.250
High resolution limit [Å]	3.070	9.150	3.070
Number of reflections	10762
Completeness [%]	98.6	98.9	91.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.05 M Na-cacodylate, 2.5 mM spermine, 60 mM magnesium chloride, 3 % PEG 400, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K