7FTK

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)	0.999770
Spacegroup name	P 21 21 21
Unit cell lengths	50.128, 120.413, 127.506
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.207 - 2.125
R-factor	0.2154
Rwork	0.212
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.008
RMSD bond angle	0.929
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]	60.210	60.207	2.180
High resolution limit [Å]	2.130	9.500	2.130
Rmerge	0.056	0.022	1.904
Rmeas	0.060	0.024	2.046
Total number of observations	323700
Number of reflections	44441	600	3268
<I/σ(I)>	15.74	46.35	0.99
Completeness [%]	99.9	99.2	100
Redundancy	7.284	6.217	7.56
CC(1/2)	0.999	0.999	0.406

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.