6EA8

Structure of VACV poxin in pre-reactive state with nonhydrolyzable 2'3' cGAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-07-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	59.428, 92.330, 257.088
Unit cell angles	90.00, 93.66, 90.00

Refinement procedure

Resolution	49.483 - 2.600
R-factor	0.2185
Rwork	0.218
R-free	0.25230
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.513
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.483	2.650
High resolution limit [Å]	2.600	2.600
Rpim	0.051	0.844
Number of reflections	84690	4369
<I/σ(I)>	9.3	1.2
Completeness [%]	99.1	97.7
Redundancy	3	3
CC(1/2)	0.919	0.348

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100 mM NaOAc pH 4.8, 10-11% PEG-20,000