9EZA

Interleukin-31 Receptor D1D2 in complex with Nemolizumab derived scFv

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	C 2 2 21
Unit cell lengths	58.008, 163.559, 269.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.745 - 2.147
Rwork	0.201
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.488
Data reduction software	XDS (20180808)
Data scaling software	XDS (20180808)
Phasing software	PHASER (2.8.1)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.378	78.378	2.280
High resolution limit [Å]	2.147	6.420	2.147
Rmeas	0.112	0.051	1.881
Number of reflections	70477	2856	11148
<I/σ(I)>	10.26	33.7	0.71
Completeness [%]	99.8	99.7	98.9
Redundancy	6.73	6.19	5.98
CC(1/2)	0.998	0.998	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	MorpheusII H6 (40 mM Polyamines, 10% PEG4000, 20% 1,2,6-Hexanetriol, 100 mM BES pH 7)