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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibodies WRAIR-2063 and WRAIR-2151

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-23
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	97.066, 97.409, 141.129
Unit cell angles	90.00, 99.76, 90.00

Refinement procedure

Resolution	19.950 - 2.770
R-factor	0.1956
Rwork	0.194
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7n4m
RMSD bond angle	15.178
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	139.090	2.830
High resolution limit [Å]	2.760	2.760
Rmerge	0.140	1.313
Rmeas	0.151
Rpim	0.057	0.592
Number of reflections	65626	3949
<I/σ(I)>	11	1
Completeness [%]	98.7	86.1
Redundancy	6.9	5.4
CC(1/2)	0.996	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100 mM Bis-Tris propane HCl pH 8.5, 200 mM Na malonate dibasic, 20% w/v PEG 3350