8GZ5

Crystal structure of neutralizing VHH P17 in complex with SARS-CoV-2 Alpha variant spike receptor-binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 32 2 1
Unit cell lengths	82.680, 82.680, 162.479
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.340 - 1.700
R-factor	0.1722
Rwork	0.171
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nx6 7kn6
RMSD bond length	0.012
RMSD bond angle	1.109
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.190	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	71557	40098
<I/σ(I)>	12.2	0.8
Completeness [%]	100.0	99.8
Redundancy	10.2	10.7
CC(1/2)	0.999	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M Bis-Tris propane pH 7.0, 1.0M succinic acid pH 7.0