9UDQ

Crystal structure of MPXV A35R in complex with a neutralizing antibody MA42

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)	0.95369
Spacegroup name	P 21 21 2
Unit cell lengths	147.483, 185.993, 41.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.000 - 2.820
R-factor	0.2162
Rwork	0.211
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.280
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000	2.920
High resolution limit [Å]	2.820	2.820
Number of reflections	28025	2602
<I/σ(I)>	9.4
Completeness [%]	97.6
Redundancy	5.3
CC(1/2)	0.958	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.1 M imidazole pH 7.0, 20% v/v Jeffamine ED-2001 pH 7.0