9WWH

Crystal structure of IL-33 and antibody Tozorakimab fab binary complex

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	2024-03-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97902
Spacegroup name	P 21 21 21
Unit cell lengths	52.442, 162.561, 188.189
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.190 - 3.510
R-factor	0.2311
Rwork	0.230
R-free	0.25930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.778
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.637
High resolution limit [Å]	3.500	3.511
Number of reflections	18337	1535
<I/σ(I)>	17.3
Completeness [%]	87.6	76.03
Redundancy	8
CC(1/2)	0.975	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Magnesium chloride hexahydrate 0.1 M Na citrate tribasic dihydrate pH 5.0 15% w/v Polyethylene glycol 20,000