8Q7S

Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	66.235, 100.836, 192.173
Unit cell angles	90.00, 95.63, 90.00

Refinement procedure

Resolution	48.250 - 2.700
R-factor	0.2336
Rwork	0.233
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.462
Data reduction software	XDS (VERSION Jan 10, 2022 BUILT=20220110)
Data scaling software	XDS (VERSION Jan 10, 2022 BUILT=20220110)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.250	7.350	2.630
High resolution limit [Å]	2.480	5.230	2.480
Rmerge	0.140	0.087	1.204
Rmeas	0.169	0.103	1.516
Number of reflections	161468	11895	22293
<I/σ(I)>	6.02
Completeness [%]	91.6
Redundancy	3
CC(1/2)	0.989	0.986	0.496

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293.15	0.1 M Sodium Citrate pH 4.5 20% (w/v) PEG 4000