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 |