9R0B

Structure of A16/G9 (vaccinia virus) in complex with VHH D07 at pH 6.5

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978564977646
Spacegroup name	P 21 21 21
Unit cell lengths	46.460, 146.424, 182.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.230 - 2.450
R-factor	0.2232
Rwork	0.222
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.531
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.230	2.540
High resolution limit [Å]	2.450	2.450
Number of reflections	46854	4496
<I/σ(I)>	17.5
Completeness [%]	100.0
Redundancy	13.6
CC(1/2)	0.999	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M MES pH 6.5, 12 % PEG 20K w/v (cryoprotected in 33% glycerol)