8HES

Crystal structure of SARS-CoV-2 RBD and NIV-10 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	53.147, 101.113, 134.265
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.310 - 2.200
R-factor	0.1983
Rwork	0.196
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eam
RMSD bond length	0.008
RMSD bond angle	1.024
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.310	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.152
Rmeas	0.164
Rpim	0.062
Number of reflections	36935	3145
<I/σ(I)>	7.8
Completeness [%]	98.2
Redundancy	6.9
CC(1/2)	0.991	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Sodium nitrate, 20% PEG 3350