7WD1

Crystal structure of R14 bound to SARS-CoV-2 RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	291
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97852
Spacegroup name	P 32 2 1
Unit cell lengths	92.450, 92.450, 218.745
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.220 - 2.500
R-factor	0.2025
Rwork	0.201
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
RMSD bond length	0.003
RMSD bond angle	0.640
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.180	1.135
Number of reflections	38373	3747
<I/σ(I)>	14.229
Completeness [%]	100.0
Redundancy	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.10% w/v n-Octyl-b-D-glucoside, 0.1M Sodium citrate tribasic dihydrate (pH 5.5), 22% w/v Polyethylene glycol 3350