7FTH

Crystal Structure of human cyclic GMP-AMP synthase in complex with cGAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-09
Detector	PSI PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 2 21
Unit cell lengths	48.182, 59.476, 125.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.986 - 2.550
R-factor	0.1939
Rwork	0.191
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.008
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11_2558)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.990	44.986
High resolution limit [Å]	2.550	2.550
Rmerge	0.130	0.926
Rmeas	0.154	0.073
Total number of observations	87646
Number of reflections	12367	178
<I/σ(I)>	8.44	0.81
Completeness [%]	99.9	100
Redundancy	7.11	7.34
CC(1/2)	0.997	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	10-12 mg/mL protein in 25 mM Tris/HCl pH7.5, 500mM NaCl, 2mM TCEP, supplemented with 10x molar excess of ligand and, if needed, with 10 mM MgCl2 and 5mM ATP, then mixed 1:1 with reservoir of the Procomplex screen. Several conditions resulted in crystals.