9HLS

Structure of A16/G9 (vaccinia virus) in complex with VHH D07, VHH B01 and VHH C05

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	2024-05-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	C 1 2 1
Unit cell lengths	150.435, 194.282, 94.866
Unit cell angles	90.00, 91.26, 90.00

Refinement procedure

Resolution	39.720 - 3.200
R-factor	0.2394
Rwork	0.237
R-free	0.29230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.456
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]	39.720	3.320
High resolution limit [Å]	3.200	3.200
Number of reflections	44399	4713
<I/σ(I)>	4.2
Completeness [%]	99.0
Redundancy	5.9
CC(1/2)	0.971	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% w/v PEG 3350, 0.2 M KH2PO4 (cryoprotected with 33% Ethylene glycol)