9YZ8

Crystal Structure of VHH MOD203 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	2024-10-16
Detector	RDI CMOS_8M
Wavelength(s)	1.000034
Spacegroup name	P 32 2 1
Unit cell lengths	136.490, 136.490, 45.284
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.680 - 1.900
R-factor	0.17967
Rwork	0.178
R-free	0.21148
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.546
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]	44.680	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.129	2.743
Number of reflections	38354	2425
<I/σ(I)>	15.5	1
Completeness [%]	100.0	100
Redundancy	10.2	10.4
CC(1/2)	0.999	0.393

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1M Sodium citrate tribasic, pH 5.0; 32% w/v PEG MME 550