9UTF

Crystal Structure of SARS-CoV-2 S receptor-binding domain (RBD) in complex XG83 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979091
Spacegroup name	C 2 2 21
Unit cell lengths	60.044, 194.411, 151.723
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.870 - 2.950
R-factor	0.2542
Rwork	0.252
R-free	0.29490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.584
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]	44.870	3.055
High resolution limit [Å]	2.950	2.950
Rmerge	0.210
Rpim	0.066	0.525
Number of reflections	18417	1867
<I/σ(I)>	10.31
Completeness [%]	95.6	97.89
Redundancy	10
CC(1/2)	0.995	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	288	18% PEG 6000, G11. 0.15M Lithium sulfate monohydrate, 0.1M Citric Acid pH 3.5.