8YUB

Crystal structure of SARS-CoV-2 ConSp RBD in complex with neutralizing antibody CC25.4 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	81.352, 124.901, 85.740
Unit cell angles	90.00, 104.37, 90.00

Refinement procedure

Resolution	41.200 - 2.490
R-factor	0.2073
Rwork	0.205
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vyr
RMSD bond length	0.002
RMSD bond angle	0.477
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.200	2.540
High resolution limit [Å]	2.490	2.500
Number of reflections	53558	1206
<I/σ(I)>	9
Completeness [%]	92.8
Redundancy	3.1
CC(1/2)	0.990	0.547

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris pH 8.5, 15% (w/v) PEG 6000