8BH5

SARS-CoV-2 BA.2.12.1 RBD in complex with Beta-27 Fab and C1 nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-31
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	186.846, 99.987, 56.486
Unit cell angles	90.00, 104.11, 90.00

Refinement procedure

Resolution	54.780 - 2.380
R-factor	0.188
Rwork	0.186
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zxu
RMSD bond length	0.002
RMSD bond angle	0.498
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	2.420
High resolution limit [Å]	2.380	2.380
Rmerge	0.240
Rpim	0.071
Number of reflections	38493	1396
<I/σ(I)>	6.3	0.3
Completeness [%]	94.8
Redundancy	11.2
CC(1/2)	0.988	0.130

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium citrate tribasic dehydrate, pH 5.5, 18% w/v Polyethylene glycol 3,350