7FTN

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

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	2018-11-17
Detector	PSI PILATUS 6M
Wavelength(s)	1.000030
Spacegroup name	P 61 2 2
Unit cell lengths	100.599, 100.599, 239.854
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.906 - 2.001
R-factor	0.1868
Rwork	0.185
R-free	0.22550
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 (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.890	58.906	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.227	0.040	4.548
Rmeas	0.232	0.042	4.667
Total number of observations	1066892
Number of reflections	49352	699	3568
<I/σ(I)>	10.79	47.96	0.34
Completeness [%]	100.0	99.7	100
Redundancy	21.618	16.479	19.822
CC(1/2)	0.999	0.999	0.280

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