7UL1

Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing IGHV3-53-encoded antibody EH3 isolated from a nonvaccinated pediatric patient

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-10-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 2 21
Unit cell lengths	86.691, 103.117, 112.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.790 - 2.650
R-factor	0.1772
Rwork	0.174
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s4s 7nab
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.740
High resolution limit [Å]	2.650	5.700	2.650
Rmerge	0.190	0.119	0.720
Rmeas	0.206	0.130	0.782
Rpim	0.079	0.052	0.301
Total number of observations	197624
Number of reflections	29750	3162	2938
<I/σ(I)>	3.7
Completeness [%]	99.4	99.1	99.8
Redundancy	6.6	6.5	6.6
CC(1/2)		0.983	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	294	0.1M sodium citrate pH 5.0, 8% w/v PEG8000