8CGB

Monkeypox virus VP39 in complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	52.320, 84.100, 154.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.570 - 2.470
R-factor	0.2031
Rwork	0.201
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.716
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.570	2.560
High resolution limit [Å]	2.470	2.472
Rmerge	0.545	3.100
Rmeas	0.567	3.219
Rpim	0.154	0.860
Number of reflections	25226	2453
<I/σ(I)>	5.67	0.82
Completeness [%]	99.9	99.84
Redundancy	13.2	13.7
CC(1/2)	0.978	0.423

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291	Lithium Citrate, PEG 3350