9YUF
PKR kinase domain - Dabrafenib complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 31 |
| Unit cell lengths | 95.330, 95.330, 122.970 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.540 - 2.500 |
| Rwork | 0.255 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.395 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.540 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.034 | 1.901 |
| Rmeas | 0.037 | 2.111 |
| Rpim | 0.016 | 0.909 |
| Number of reflections | 43270 | 2856 |
| <I/σ(I)> | 19.67 | 0.69 |
| Completeness [%] | 99.8 | 99.54 |
| Redundancy | 5.3 | 5.3 |
| CC(1/2) | 1.000 | 0.348 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 14% PEG3350, 0.2M sodium fluoride, 0.1M HEPES pH 7.5 |
