7N4J

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2173.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-05
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	46.255, 70.460, 107.255
Unit cell angles	90.00, 98.19, 90.00

Refinement procedure

Resolution	44.403 - 2.207
R-factor	0.1738
Rwork	0.172
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w6c
RMSD bond length	0.003
RMSD bond angle	0.703
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	2.280
High resolution limit [Å]	2.200	2.200
Rpim	0.060
Number of reflections	34103	3364
<I/σ(I)>	10.6
Completeness [%]	99.2
Redundancy	6.4
CC(1/2)	0.950	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.09M NPS (Sodium nitrate, Sodium phosphate dibasic, Ammonium sulfate), 0.1M buffer system 3 (Tris base and BICINE, pH 8.5), 50% precipitant mix 4 (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350)