4D9T
Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 46.700, 46.700, 294.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.574 - 2.400 |
| R-factor | 0.221 |
| Rwork | 0.216 |
| R-free | 0.26650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.263 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_613) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.600 | |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.108 | |
| Number of reflections | 13507 | |
| <I/σ(I)> | 18.4 | |
| Completeness [%] | 98.0 | 98 |
| Redundancy | 16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 8.5 | 298 | 100mM Tris, pH 8.5, 25% PEG 3350, hanging drop, temperature 298K |
