5VDT

Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cGAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	173
Detector technology	PIXEL
Collection date	2016-07-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	213.896, 47.975, 88.274
Unit cell angles	90.00, 110.07, 90.00

Refinement procedure

Resolution	55.306 - 2.576
R-factor	0.2038
Rwork	0.202
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o67
RMSD bond length	0.003
RMSD bond angle	0.647
Data reduction software	Aimless
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX (dev_1999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.306
High resolution limit [Å]	2.576	2.576
Rmerge	0.187	0.558
Rpim	0.100	0.531
Number of reflections	26726
<I/σ(I)>	14.8
Completeness [%]	98.7
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	18-20% PEG 3350, 0.2 M ammonium citrate pH 7