9YZ9

Crystal Structure of VHH MOD239 in complex with SARS-CoV-2 KP.3 RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2024-12-11
Detector	RDI CMOS_8M
Wavelength(s)	1.000034
Spacegroup name	P 1
Unit cell lengths	47.760, 69.685, 75.430
Unit cell angles	83.61, 82.67, 89.90

Refinement procedure

Resolution	39.360 - 2.100
R-factor	0.19799
Rwork	0.196
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.297
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.370	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.144	1.174
Number of reflections	51184	4218
<I/σ(I)>	7.6	1.1
Completeness [%]	91.5	91.1
Redundancy	3.6	3.8
CC(1/2)	0.984	0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1M Sodium citrate tribasic, pH 5.0; 13% w/v PEG 20,000