3OY1
Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-07-09 |
| Detector | RIGAKU RAXIS HTC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.126, 71.328, 107.752 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.440 - 1.700 |
| R-factor | 0.259 |
| Rwork | 0.258 |
| R-free | 0.29900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.130 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.440 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 35532 | |
| Completeness [%] | 79.0 | 79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 277 | 15% PEG 8K, 10% ethylene glycol, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
