7FTG

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

This is a non-PDB format compatible entry.

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)	0.999990
Spacegroup name	P 21 21 21
Unit cell lengths	48.090, 118.340, 125.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.890 - 1.730
R-factor	0.1934
Rwork	0.192
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.006
RMSD bond angle	0.899
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]	44.890	44.890
High resolution limit [Å]	1.730	1.730
Rmerge	0.055	0.795
Rmeas	0.060	0.032
Total number of observations	551270
Number of reflections	75529	981
<I/σ(I)>	14.16	1.27
Completeness [%]	100.0	100
Redundancy	7.38	7.5
CC(1/2)	0.999	0.999

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.