8I5H

Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG48 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	2022-10-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	88.805, 113.730, 272.243
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.977 - 2.380
R-factor	0.1904
Rwork	0.188
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.982
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.900	2.420
High resolution limit [Å]	2.380	2.380
Number of reflections	111340	78649
<I/σ(I)>	10.3
Completeness [%]	100.0
Redundancy	13.7
CC(1/2)	0.997	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	pH 6.5 100 mM Bis-Tris, 17.5% PEG 10K, 100 mM Ammonium acetate, 5% Glycerol