1PMU
The crystal structure of JNK3 in complex with a phenantroline 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 | 2000-08-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.401, 62.377, 98.119 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.700 |
| R-factor | 0.221 |
| Rwork | 0.218 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pmn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 22.000 * |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | AMoRE |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.123 * | 0.454 * |
| Number of reflections | 10987 | 1668 * |
| <I/σ(I)> | 5.7 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.9 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | PEG MMe 550, Ethylene glycol, Hepes, pH 7.3, 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 |
