8DZ8

Neoleukin 4, a de novo designed IL-4 mimetic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033149
Spacegroup name	H 3 2
Unit cell lengths	122.477, 122.477, 310.376
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.910 - 2.972
R-factor	0.2232
Rwork	0.221
R-free	0.26050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dg6
RMSD bond length	0.004
RMSD bond angle	0.633
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.910	3.078
High resolution limit [Å]	2.972	2.972
Rmerge	0.152	3.134
Rmeas	0.160	3.300
Rpim	0.051	1.027
Number of reflections	18828	1823
<I/σ(I)>	7.79	0.7
Completeness [%]	99.8	98.91
Redundancy	10	10.2
CC(1/2)	0.999	0.258

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	293	3.5 M sodium chloride, 0.1 M sodium acetate, pH 5.1, 5% DMSO