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 |