6P9E
Crystal structure of IL-36gamma complexed to A-552
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 3 |
Unit cell lengths | 96.420, 96.420, 96.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.490 - 2.000 |
R-factor | 0.217 |
Rwork | 0.216 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ize |
RMSD bond length | 0.010 |
RMSD bond angle | 1.170 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.400 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.065 | 0.570 |
Number of reflections | 9984 | 533 |
<I/σ(I)> | 28.8 | |
Completeness [%] | 100.0 | |
Redundancy | 18.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 296.15 | 3 M NaCl, 0.1 M Na3 Citrate, pH 3.5 |