7N4M

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2151.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-E
Synchrotron site	APS
Beamline	21-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97
Spacegroup name	P 43 21 2
Unit cell lengths	112.913, 112.913, 239.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.994 - 3.790
R-factor	0.2604
Rwork	0.258
R-free	0.31680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xwd 4rir
RMSD bond length	0.002
RMSD bond angle	0.500
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]	119.750	3.780
High resolution limit [Å]	3.570	3.570
Rpim	0.060
Number of reflections	35105	5627
<I/σ(I)>	13
Completeness [%]	99.7	98.3
Redundancy	13	13.2
CC(1/2)	0.990	0.140

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	0.1 M Sodium acetate trihydrate pH 4.6, 2.0 M Ammonium sulfate