7KN6

Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH V and antibody Fab CC12.3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	187.357, 90.146, 57.261
Unit cell angles	90.00, 104.36, 90.00

Refinement procedure

Resolution	48.270 - 2.550
R-factor	0.1954
Rwork	0.193
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xc7 7jmw 6waq
RMSD bond length	0.004
RMSD bond angle	0.802
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.164	0.765
Rpim	0.074	0.485
Number of reflections	25515	633
<I/σ(I)>	8.9	1
Completeness [%]	98.0
Redundancy	5.5
CC(1/2)	0.980	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 3350, 0.2 M Na2HPO4, pH 9.1