8SDH

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.56

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	C 1 2 1
Unit cell lengths	171.052, 105.586, 98.993
Unit cell angles	90.00, 117.31, 90.00

Refinement procedure

Resolution	47.690 - 2.840
R-factor	0.2477
Rwork	0.246
R-free	0.28260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.817
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.819	2.890
High resolution limit [Å]	2.840	2.840
Number of reflections	36671	1820
<I/σ(I)>	6.2
Completeness [%]	99.1
Redundancy	6.2
CC(1/2)	0.971	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	10% ethylene glycol (v/v), 0.11 M MgCl2, and 16% polyethylene glycol 3350 (w/v)