8ZES

Crystal structure of the Wuhan SARS-CoV-2 RBD (333-541) complexed with P2C5 nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17UM
Synchrotron site	SSRF
Beamline	BL17UM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-06
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9792
Spacegroup name	I 21 21 21
Unit cell lengths	126.640, 194.240, 264.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.100 - 3.700
R-factor	0.21056
Rwork	0.207
R-free	0.26888
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7a91 AlphaFold
RMSD bond length	0.018
RMSD bond angle	3.344
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.000	80.000	3.800
High resolution limit [Å]	3.700	20.000	3.700
Rmerge	0.205	0.037	2.828
Rmeas	0.228	0.043	3.162
Number of reflections	34890	255	2681
<I/σ(I)>	6.6
Completeness [%]	99.1
Redundancy	5
CC(1/2)	0.996	0.998	0.321

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	0.15 M DL-Malic acid pH 7.0, 0.1 M Imidazole pH 7.0, 22% PEG MME 550