7FU5

Crystal Structure of 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	2019-02-23
Detector	PSI PILATUS 6M
Wavelength(s)	1.000030
Spacegroup name	C 1 2 1
Unit cell lengths	219.993, 45.554, 89.978
Unit cell angles	90.00, 111.38, 90.00

Refinement procedure

Resolution	55.670 - 2.180
R-factor	0.2235
Rwork	0.221
R-free	0.27840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.890	55.670	2.240
High resolution limit [Å]	2.180	9.760	2.180
Rmerge	0.096	0.027	3.327
Rmeas	0.114	0.033	3.952
Total number of observations	146267
Number of reflections	43609	545	3195
<I/σ(I)>	7.52	32.53	0.43
Completeness [%]	99.5	98.2	99.6
Redundancy	3.354	2.961	3.402
CC(1/2)	0.998	0.998	0.157

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