8ZU9

The complex structure of MPXV M1R and neutralizing antibody A129

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	2023-05-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	74.730, 89.300, 100.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.330 - 2.170
R-factor	0.2141
Rwork	0.211
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i9l
RMSD bond length	0.012
RMSD bond angle	1.411
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.370	2.250
High resolution limit [Å]	2.170	2.170
Rmerge	0.117	1.267
Number of reflections	36315	3566
<I/σ(I)>	15.9
Completeness [%]	99.9
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.2 M Lithium citrate tribasic tetrahydrate, 20% w/v polyethylene glycol 3,350