7Q3R

Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing nanobodies VHH-F04 and VHH-G09

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.978565
Spacegroup name	P 63
Unit cell lengths	180.578, 180.578, 48.025
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.910 - 1.920
R-factor	0.1833
Rwork	0.182
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ym0
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.030	48.030	1.970
High resolution limit [Å]	1.920	8.570	1.920
Rmerge	0.079	0.052	1.456
Rmeas	0.081	0.054	1.493
Rpim	0.018	0.012	0.327
Total number of observations	1433441	16268	100999
Number of reflections	69234	850	4987
<I/σ(I)>	22.5	61.9	2.1
Completeness [%]	99.8	99.4	97.6
Redundancy	20.7	19.1	20.3
CC(1/2)	0.999	0.999	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	0.1 M NaAc/HAc (pH 4.5), 0.2 M Li2SO4, 2.2 M NaCl