8C3U
Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000036 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.168, 60.085, 55.877 |
| Unit cell angles | 90.00, 114.76, 90.00 |
Refinement procedure
| Resolution | 50.740 - 1.945 |
| R-factor | 0.2093 |
| Rwork | 0.208 |
| R-free | 0.24090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i1b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.741 | 1.978 |
| High resolution limit [Å] | 1.945 | 1.945 |
| Rmerge | 0.117 | 2.039 |
| Rmeas | 0.131 | 2.256 |
| Rpim | 0.058 | 0.959 |
| Number of reflections | 24314 | 1178 |
| <I/σ(I)> | 7.6 | 0.9 |
| Completeness [%] | 97.4 | 97 |
| Redundancy | 5.1 | 5.4 |
| CC(1/2) | 0.994 | 0.326 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.01M sodium citrate, 33% PEG 6,000 |
