8OWW

B5-5 nanobody bound to SARS-CoV-2 spike RBD (Wuhan)

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	2022-12-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 2 21 21
Unit cell lengths	45.038, 70.029, 109.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.079 - 1.969
Rwork	0.181
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.182
Data reduction software	xia2.multiplex
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.079	45.040	2.020
High resolution limit [Å]	1.969	9.020	1.970
Rmerge	0.200	0.069	7.330
Rmeas	0.203	0.070	7.458
Rpim	0.038	0.013	1.373
Number of reflections	25155	319	1708
<I/σ(I)>	15.3
Completeness [%]	99.9
Redundancy	53.6	45.9	55.5
CC(1/2)	0.999	0.999	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Tris pH 8.5, PEG smear low Seeded from crystals grown in ammonium nitrate, PEG 3350