6OKO
Crystal structure of mRIPK3 complexed with N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.760, 52.750, 103.750 |
| Unit cell angles | 90.00, 130.82, 90.00 |
Refinement procedure
| Resolution | 39.260 - 2.100 |
| R-factor | 0.1808 |
| Rwork | 0.180 |
| R-free | 0.19840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.530 | 2.350 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.028 | 0.324 |
| Number of reflections | 34398 | 9702 |
| <I/σ(I)> | 19.2 | 3.2 |
| Completeness [%] | 99.3 | 99.4 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18-22% w/v PEG3350, 10-15 mM L-proline |
