1PMN
Crystal structure of JNK3 in complex with an imidazole-pyrimidine inhibitor
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 | CCD |
| Collection date | 2000-03-06 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.075, 71.341, 107.174 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.000 - 2.200 |
| R-factor | 0.231 |
| Rwork | 0.228 |
| R-free | 0.26600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jnk |
| RMSD bond length | 0.012 |
| RMSD bond angle | 22.400 * |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.059 * | 0.197 * |
| Number of reflections | 21026 | 3431 * |
| <I/σ(I)> | 8.6 | 2.4 |
| Completeness [%] | 98.6 | 98.5 |
| Redundancy | 6.1 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 * | 293 | PEG MMe 550, Ethylene glycol, Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | AMP-PCP | 1 (mM) | |
| 3 | 1 | drop | 2 (mM) | ||
| 4 | 1 | reservoir | PEG550 MME | 20 (%) | |
| 5 | 1 | reservoir | ethylene glycol | 10 (%) | |
| 6 | 1 | reservoir | HEPES | 0.1 (M) | pH7.3 |
