9O9C
Structure of the IL-18 Surrogate Cytokine Agonist DR3085
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-12-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 65 |
| Unit cell lengths | 92.640, 92.640, 181.846 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.200 - 3.800 |
| R-factor | 0.23793 |
| Rwork | 0.235 |
| R-free | 0.29098 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.283 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 3.930 |
| High resolution limit [Å] | 3.590 | 3.590 |
| Rmerge | 0.449 | 1.109 |
| Rmeas | 0.516 | 1.277 |
| Rpim | 0.251 | 0.625 |
| Total number of observations | 42054 | 9711 |
| Number of reflections | 10210 | 2400 |
| <I/σ(I)> | 3.5 | 1.8 |
| Completeness [%] | 99.3 | |
| Redundancy | 4.1 | 4 |
| CC(1/2) | 0.904 | 0.655 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Lithium sulfate, 0.1 M Tris pH 8.5 and 1.26 M Ammonium sulfate |
