9UK5

crystal structure of the complex of interleukin-31 and its antibody

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	2023-11-24
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	42.185, 100.801, 128.615
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.270 - 1.900
R-factor	0.2031
Rwork	0.201
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.057
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.900	1.900
Number of reflections	40311	10
<I/σ(I)>	11.8
Completeness [%]	90.7
Redundancy	6.6
CC(1/2)	0.998	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium iodide, 0.1 M Bis-Tris propane, 25% PEG3350, pH 8.5