9YZ7

Crystal Structure of VHH MOD225 in complex with SARS-CoV-2 KP.3 RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-28
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.97856
Spacegroup name	P 31 2 1
Unit cell lengths	85.953, 85.953, 120.948
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.940 - 2.350
R-factor	0.20583
Rwork	0.204
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.668
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.940	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.150	3.811
Number of reflections	22124	2149
<I/σ(I)>	15.2	0.9
Completeness [%]	100.0	100
Redundancy	19.6	20.2
CC(1/2)	0.994	0.354

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2 M Sodium Iodide; 17.5% w/v PEG 3350