7FU7

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	2019-03-16
Detector	PSI PILATUS 6M
Wavelength(s)	0.999830
Spacegroup name	P 21 2 21
Unit cell lengths	45.015, 59.359, 162.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.360 - 2.240
R-factor	0.2238
Rwork	0.223
R-free	0.24630
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]	59.360	59.360	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.037	0.022	2.008
Rmeas	0.040	0.024	2.169
Total number of observations	140049
Number of reflections	21454	295	1539
<I/σ(I)>	19.95	65	0.86
Completeness [%]	99.9	97	100
Redundancy	6.528	5.247	6.914
CC(1/2)	1.000	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