7FTF

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	2018-07-06
Detector	PSI PILATUS 6M
Wavelength(s)	0.999980
Spacegroup name	P 21 2 21
Unit cell lengths	48.367, 59.896, 125.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.129 - 1.508
R-factor	0.1805
Rwork	0.179
R-free	0.21370
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_3139)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.730	45.129	1.550
High resolution limit [Å]	1.510	6.740	1.510
Rmerge	0.051	0.030	2.782
Rmeas	0.055	0.032	3.010
Total number of observations	423586
Number of reflections	58354	768	4254
<I/σ(I)>	14.87	48.04	0.61
Completeness [%]	100.0	99.7	100
Redundancy	7.259	6.557	6.937
CC(1/2)	0.999	0.999	0.320

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.