9UE0

Crystal structure of MPXV A35R in complex with a neutralizing antibody MA49

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	P 21 21 21
Unit cell lengths	81.766, 82.528, 107.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.950 - 2.700
R-factor	0.219
Rwork	0.214
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.604
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.950	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	38504	1911
<I/σ(I)>	11.5
Completeness [%]	98.8
Redundancy	12.9
CC(1/2)	0.844	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.1 M sodium citrate tribasic dihydrate (pH 5.0) and 30% (v/v) polyethylene glycol monomethyl ether 550