7FTJ

Crystal Structure of apo human cyclic GMP-AMP synthase

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	2018-02-05
Detector	PSI PILATUS 6M
Wavelength(s)	0.999940
Spacegroup name	P 21 2 21
Unit cell lengths	47.886, 57.293, 122.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.293 - 1.461
R-factor	0.1915
Rwork	0.191
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.009
RMSD bond angle	0.810
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12rc1_2801)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.290	57.293	1.500
High resolution limit [Å]	1.460	6.530	1.460
Rmerge	0.050	0.026	2.064
Rmeas	0.054	0.028	2.226
Total number of observations	419901
Number of reflections	59097	778	4283
<I/σ(I)>	16.54	54.84	0.93
Completeness [%]	99.9	99.5	99.9
Redundancy	7.105	6.422	7.003
CC(1/2)	0.999	0.999	0.358

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.