7N4I

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2057.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-21
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97
Spacegroup name	P 43
Unit cell lengths	73.931, 73.931, 149.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.871 - 2.284
R-factor	0.2018
Rwork	0.200
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zd3
RMSD bond length	0.005
RMSD bond angle	0.755
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.460
High resolution limit [Å]	2.280	2.280
Rpim	0.050
Number of reflections	36098	3406
<I/σ(I)>	19
Completeness [%]	99.3
Redundancy	5.1
CC(1/2)	0.990	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	8% v/v Tacsimate pH 5.0, 20% w/v Polyethylene glycol 3,350