9MSP

Crystal structure of MPXV A35R in complex with neutralizing antibody EV35-7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	103.339, 107.886, 268.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.740 - 2.190
R-factor	0.2128
Rwork	0.211
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.626
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.190	5.970	2.200
Rmerge	0.118	0.033	1.663
Rmeas	0.125	0.035	1.784
Rpim	0.040	0.010	0.616
Number of reflections	75918	4088	3680
<I/σ(I)>	11.7
Completeness [%]	98.7	99.7	98.9
Redundancy	10	12.1	7.9
CC(1/2)	0.993	0.999	0.308

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	25% PEG 4000, 0.2 M ammonium sulfate, and 0.1 M acetate pH 4.6