8EL2

SARS-CoV-2 RBD bound to neutralizing antibody Fab ICO-hu23

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	2021-04-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 32 2 1
Unit cell lengths	140.300, 140.300, 202.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.780 - 2.890
R-factor	0.2404
Rwork	0.239
R-free	0.28150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7beh
RMSD bond length	0.006
RMSD bond angle	1.025
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.780	2.980
High resolution limit [Å]	2.890	2.890
Number of reflections	52265	4458
<I/σ(I)>	11.7	1
Completeness [%]	99.9	98.6
Redundancy	10	9.9
CC(1/2)	0.998	0.317

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	10% PEG 8000, 0.1 M MES at pH 5.5, 0.2 M zinc acetate, 3% ethylene glycol, 3% glycerol, 10 mM cadmium chloride hydrate, 4% v/v polypropylene glycol P 400, 3% v/v 2-propanol