7FTX

Crystal Structure of apo human cyclic GMP-AMP synthase - hexagonal form

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	2018-12-13
Detector	PSI PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 61 2 2
Unit cell lengths	101.235, 101.235, 240.332
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	82.360 - 2.831
R-factor	0.2446
Rwork	0.243
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.007
RMSD bond angle	0.870
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (21-NOV-2022))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.360	82.360	3.120
High resolution limit [Å]	3.040	13.600	3.040
Rmerge	0.390	0.039	3.756
Rmeas	0.401	0.041	3.857
Total number of observations	279829
Number of reflections	14825	232	1057
<I/σ(I)>	10.71	46.7	1.09
Completeness [%]	99.9	98.7	100
Redundancy	18.875	14.685	19.264
CC(1/2)	0.996	1.000	0.412

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.