7VNB

Crystal structure of the SARS-CoV-2 RBD in complex with a human single domain antibody n3113

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	H 3
Unit cell lengths	146.210, 146.210, 93.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.560 - 2.270
R-factor	0.1783
Rwork	0.177
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
RMSD bond length	0.008
RMSD bond angle	0.954
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.110	2.330
High resolution limit [Å]	2.270	2.270
Number of reflections	34264	2535
<I/σ(I)>	11.1
Completeness [%]	99.9
Redundancy	10.4
CC(1/2)	0.997	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	4.3M sodium chloride and 0.1M HEPES, pH 7.5