9IWZ
Crystal structure of the mouse RIP3 kinase domain in complexed with GSK'843
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-29 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 149.790, 49.101, 103.434 |
| Unit cell angles | 90.00, 131.38, 90.00 |
Refinement procedure
| Resolution | 35.680 - 1.820 |
| R-factor | 0.1776 |
| Rwork | 0.176 |
| R-free | 0.21150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m66 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.255 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.620 | 1.920 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.052 | 0.565 |
| Rmeas | 0.059 | 0.642 |
| Rpim | 0.028 | 0.301 |
| Total number of observations | 205965 | 30311 |
| Number of reflections | 48010 | 6928 |
| <I/σ(I)> | 10.9 | 2.5 |
| Completeness [%] | 94.1 | |
| Redundancy | 4.3 | 4.4 |
| CC(1/2) | 0.999 | 0.873 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10-20% PEG3350, 50 mM magnesium formate,pH 5.0-7.5 |
