9HPA

Structure of A16/G9 (vaccinia virus) in complex with VHH D07 and VHH E12

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	2024-09-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	P 21 21 21
Unit cell lengths	78.204, 148.041, 185.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.330 - 3.100
R-factor	0.2248
Rwork	0.223
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.469
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]	39.330	3.240
High resolution limit [Å]	3.100	3.100
Number of reflections	38737	4739
<I/σ(I)>	6.8
Completeness [%]	97.4
Redundancy	7.9
CC(1/2)	0.989	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20 % w/v PEG 1K, 0.1 M Na Phos Cit pH 4.2, 0.2 M LiSO4 (cryoprotected with 33% Ethylene glycol)