7FUA

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	2019-04-07
Detector	PSI PILATUS 6M
Wavelength(s)	1.000040
Spacegroup name	P 21 2 21
Unit cell lengths	47.869, 57.873, 122.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.582 - 1.444
R-factor	0.1882
Rwork	0.187
R-free	0.21350
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 (1.15rc1_3423)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.870	44.582	1.480
High resolution limit [Å]	1.440	6.460	1.440
Rmerge	0.045	0.023	3.063
Rmeas	0.050	0.026	3.460
Total number of observations	302535
Number of reflections	61569	799	4465
<I/σ(I)>	13.03	51.21	0.45
Completeness [%]	99.3	98.4	98.5
Redundancy	4.914	4.602	4.561
CC(1/2)	0.999	0.999	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