7KN7

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	C 1 2 1
Unit cell lengths	192.400, 105.879, 55.746
Unit cell angles	90.00, 101.86, 90.00

Refinement procedure

Resolution	49.180 - 2.730
R-factor	0.2054
Rwork	0.203
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xc7 7jmw 6waq
RMSD bond length	0.003
RMSD bond angle	0.746
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	2.800
High resolution limit [Å]	2.730	2.730
Rmerge	0.181	0.585
Rpim	0.084	0.370
Number of reflections	28107	1330
<I/σ(I)>	9.3	1.1
Completeness [%]	98.1	93
Redundancy	5.3	2.9
CC(1/2)	0.969	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.0 M Li-chloride, 10% PEG-6000, 0.1 M Bicine pH 9.0