8XIG

The crystal structure of the AEP domain of MPXV E5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	51.982, 54.816, 74.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.410 - 1.650
R-factor	0.1752
Rwork	0.173
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.970
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.117	0.092	0.491
Rmeas	0.123	0.096	0.526
Rpim	0.036	0.028	0.182
Total number of observations	266804
Number of reflections	26185	2827	2395
<I/σ(I)>	7.4
Completeness [%]	99.1	99.9	91.9
Redundancy	10.2	11.6	6.9
CC(1/2)	0.993	0.994	0.897

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