9ML9

Crystal structure of the SARS-CoV-2 RBD in complex with the rabbit M8b-C9 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	108.159, 127.194, 75.431
Unit cell angles	90.00, 127.72, 90.00

Refinement procedure

Resolution	37.990 - 2.590
R-factor	0.2286
Rwork	0.226
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.543
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.990	2.710
High resolution limit [Å]	2.560	2.590
Rmerge	0.082	0.983
Rmeas	0.088	1.059
Rpim	0.032	0.390
Number of reflections	24650	2884
<I/σ(I)>	11.7
Completeness [%]	98.5	94.5
Redundancy	7.2	7.1
CC(1/2)	0.999	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		297	2% v/v 1,4-dioxane 0.1M Tris pH 8.0 15% (w/v) PEG 3,350