7WQV

Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	92.643, 116.742, 180.720
Unit cell angles	90.00, 90.31, 90.00

Refinement procedure

Resolution	44.930 - 2.800
R-factor	0.2213
Rwork	0.220
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cyv
RMSD bond length	0.002
RMSD bond angle	0.543
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.390	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.161	0.945
Rpim	0.071
Number of reflections	94140	9381
<I/σ(I)>	9.4
Completeness [%]	99.3
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Magnesium chloride hexahydrate, calcium chloride dihydrate, sodium HEPES, MOPS (acid), MPD, PEG 1000, PEG 3350