9FCM

Single-domain antibody binding the SARS-COV2 S2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.61990
Spacegroup name	I 2 2 2
Unit cell lengths	90.413, 98.800, 150.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.640 - 1.940
R-factor	0.2021
Rwork	0.200
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.945
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	MoRDa
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.640	2.052
High resolution limit [Å]	1.937	1.937
Rpim	0.076
Number of reflections	39377	1969
<I/σ(I)>	8.3
Completeness [%]	95.2
Redundancy	13.8
CC(1/2)	0.990	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M magnesium chloride hexahydrate, 0.1 M sodium citrate pH 5.0, and 15% PEG4000