7FUH

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

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	2019-05-03
Detector	PSI PILATUS 6M
Wavelength(s)	1.000050
Spacegroup name	P 21 21 2
Unit cell lengths	122.000, 47.750, 57.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.750 - 1.944
R-factor	0.1919
Rwork	0.189
R-free	0.25030
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 (dev_3488)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.750	57.750	1.990
High resolution limit [Å]	1.940	8.690	1.940
Rmerge	0.072	0.018	9.900
Rmeas	0.102	0.026	19.046
Total number of observations	154994
Number of reflections	87392	1009	6213
<I/σ(I)>	5.33	28.82
Completeness [%]	91.5	93.9	86.6
Redundancy	1.774	1.858	1.698
CC(1/2)	0.998	0.998

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