9LFV
Crystal structure of mouse RIP3 kinase domain complexed with LK01004
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 | 2024-11-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.662, 94.662, 122.210 |
| Unit cell angles | 90.00, 90.98, 90.00 |
Refinement procedure
| Resolution | 61.100 - 2.780 |
| R-factor | 0.2487 |
| Rwork | 0.247 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.976 |
| 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] | 74.830 | 2.930 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.188 | 2.011 |
| Rmeas | 0.208 | 2.209 |
| Rpim | 0.087 | 0.904 |
| Total number of observations | 187746 | 27424 |
| Number of reflections | 32505 | 4687 |
| <I/σ(I)> | 6.8 | 1.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 5.8 | 5.9 |
| CC(1/2) | 0.975 | 0.485 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.05M magnesium formate, 20% PEG3350, pH 7.0 |
