8F2X

Crystal structure of antibody WRAIR-2123 in complex with SARS-CoV-2 receptor binding domain

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	2021-03-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 21 2 21
Unit cell lengths	39.290, 94.430, 201.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.413 - 3.501
R-factor	0.2484
Rwork	0.245
R-free	0.32400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7czu 7n4j
RMSD bond length	0.002
RMSD bond angle	0.552
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1-2575-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.690
High resolution limit [Å]	3.500	3.500
Number of reflections	16572	2649
<I/σ(I)>	5.1
Completeness [%]	90.1
Redundancy	2.1
CC(1/2)	0.880	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.12 M alcohol mixture (1,6-Hexanediol; 1-Butanol; 1,2-Propanediol; 2-Propanol; 1,4-Butanediol; 1,3-Propanediol), 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) and 0.1 M Manganese(II) chloride tetrahydrate.