9WFX

Crystal structure of MPXV A35R in complex with a neutralizing antibody 347

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	2024-10-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.954
Spacegroup name	I 2 2 2
Unit cell lengths	39.576, 155.446, 189.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.910 - 3.000
R-factor	0.2196
Rwork	0.212
R-free	0.28630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.237
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.910	3.108
High resolution limit [Å]	3.000	3.000
Number of reflections	11679	811
<I/σ(I)>	13
Completeness [%]	84.7
Redundancy	11.4
CC(1/2)	0.989	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289.15	8% v/v Tacsimate pH 7.0 20% w/v Polyethylene glycol 3,350