7E3O

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody nCoV617

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-11-27
Detector	SDMS
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	165.093, 60.367, 77.296
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.670 - 2.510
R-factor	0.2083
Rwork	0.204
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j 7k8z
RMSD bond length	0.010
RMSD bond angle	1.214
Data reduction software	HKL-3000
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.670	2.603
High resolution limit [Å]	2.510	2.514
Number of reflections	25491	2495
<I/σ(I)>	-0.6
Completeness [%]	94.2
Redundancy	4.9
CC(1/2)	0.897	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	152 mM NH4Cl, 22.8% PEG8000