9LFU
Crystal structure of human RIP3 kinase domain complexed with LK01003
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 64 |
| Unit cell lengths | 129.203, 129.203, 79.429 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.950 - 2.930 |
| R-factor | 0.2613 |
| Rwork | 0.258 |
| R-free | 0.31860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.795 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 111.890 | 3.090 |
| High resolution limit [Å] | 2.930 | 2.930 |
| Rmerge | 0.200 | 4.233 |
| Rmeas | 0.206 | 4.338 |
| Rpim | 0.046 | 0.946 |
| Total number of observations | 333886 | 49225 |
| Number of reflections | 16341 | 2356 |
| <I/σ(I)> | 11.4 | 0.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 20.4 | 20.9 |
| CC(1/2) | 0.999 | 0.504 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M magnesium chloride, 22.5% (w/v) polyethylene glycol 3350, 0.1 M Tris, pH 7.5 |
