8XIF

The crystal structure of the AEP domain of VACV D5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	52.470, 56.620, 74.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.310 - 1.390
R-factor	0.18
Rwork	0.179
R-free	0.19720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.048
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.310	1.420
High resolution limit [Å]	1.390	1.390
Rmerge	0.098	0.098
Rmeas	0.102
Rpim	0.029
Number of reflections	45138	45138
<I/σ(I)>	13.8
Completeness [%]	100.0
Redundancy	12.8	13
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.1 M Magnesium formate dihydrate, 15% w/v Polyethylene glycol 3,350