8HR2

Ternary Crystal Complex Structure of RBD with NB1B5 and NB1C6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 31 2 1
Unit cell lengths	89.522, 89.522, 125.821
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.850 - 1.940
R-factor	0.1923
Rwork	0.191
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ch5
RMSD bond length	0.014
RMSD bond angle	2.067
Refinement software	PHENIX (v1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.000	2.040
High resolution limit [Å]	1.940	1.940
Number of reflections	39139	3773
<I/σ(I)>	24.7
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	1.000	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293.15	0.2 mM HEPES pH7.0;12% PEG3350