7WN2

Crystal structure of SARS-CoV-2 spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	76.265, 118.195, 196.293
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.710 - 2.350
R-factor	0.2307
Rwork	0.228
R-free	0.27850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eam 7chb 6xdg
RMSD bond length	0.008
RMSD bond angle	1.025
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.710	2.400
High resolution limit [Å]	2.350	2.350
Number of reflections	74372	4462
<I/σ(I)>	4.1	1
Completeness [%]	99.6	98.1
Redundancy	5	5
CC(1/2)	0.982	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.25 M ammonium sulfate, 22.5% PEG3350, 0.1 M MES pH 6.0