6WAQ

Crystal structure of the SARS-CoV-1 RBD bound by the cross-reactive single-domain antibody SARS VHH-72

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2019-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	88.848, 88.848, 200.887
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.513 - 2.200
R-factor	0.2042
Rwork	0.203
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ajf 5f1o
RMSD bond length	0.006
RMSD bond angle	0.756
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.513	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	47356	4063
<I/σ(I)>	6.2	1.5
Completeness [%]	99.8	99.9
Redundancy	8.9	9.1
CC(1/2)	0.993	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	0.1 M Tris pH 8.5, 0.2 M LiSO4, 0.1 M LiCl, 8% PEG 8000