8SMT

Crystal structure of antibody WRAIR-2134 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	2021-06-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	143.190, 154.430, 165.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.147 - 3.160
R-factor	0.2161
Rwork	0.214
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.983
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	3.340
High resolution limit [Å]	3.150	3.150
Rmeas	0.176	1.691
Number of reflections	63643	19496
<I/σ(I)>	7.15
Completeness [%]	99.7
Redundancy	6.8
CC(1/2)	0.993	0.428

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	8% v/v Tacsimate pH 5.0, 20% w/v Polyethylene glycol 3,350