8C3V

SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-17
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	105.925, 160.817, 172.455
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.870 - 2.740
R-factor	0.2177
Rwork	0.216
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8bbo
RMSD bond length	0.003
RMSD bond angle	0.611
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.790
High resolution limit [Å]	2.740	2.740
Rmerge	0.257
Rpim	0.072
Number of reflections	78088	3830
<I/σ(I)>	7.4	0.4
Completeness [%]	100.0
Redundancy	13.7
CC(1/2)	0.995	0.317

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M BICINE pH 8.5, 15% PEG 1,500