9XA4

Structure of the Omicron BA.4/5 Spike N-terminal domain(NTD) in complex with the AC2 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97925
Spacegroup name	C 1 2 1
Unit cell lengths	107.568, 71.353, 155.592
Unit cell angles	90.00, 100.58, 90.00

Refinement procedure

Resolution	52.870 - 2.520
R-factor	0.2239
Rwork	0.222
R-free	0.25670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.058
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.870	2.590
High resolution limit [Å]	2.520	2.520
Number of reflections	39178	2905
<I/σ(I)>	11
Completeness [%]	99.5
Redundancy	6.8
CC(1/2)	0.996	0.487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.17 M Lithium sulfate monohydrate, 0.085 M TRIS hydrochloride pH 8.5, 25.5% w/v Polyethylene glycol 4,000, 15% v/v Glycerol