6EA9

Structure of VACV Poxin in post-reactive state with Gp[2'-5']Ap[3']

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	C 1 2 1
Unit cell lengths	215.416, 57.147, 133.113
Unit cell angles	90.00, 120.37, 90.00

Refinement procedure

Resolution	38.281 - 2.100
R-factor	0.2
Rwork	0.199
R-free	0.22390
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.885
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]	38.281	2.140
High resolution limit [Å]	2.100	2.100
Rpim	0.035	0.681
Number of reflections	81341	4327
<I/σ(I)>	9.9	1.1
Completeness [%]	99.2	97.2
Redundancy	3.5	3.2
CC(1/2)	0.999	0.847

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