2EXC
Inhibitor complex of JNK3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-07-11 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.578, 72.231, 106.155 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.760 - 2.750 |
| R-factor | 0.213 |
| Rwork | 0.209 |
| R-free | 0.31400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.571 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.760 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.117 | 0.381 |
| Number of reflections | 10184 | |
| <I/σ(I)> | 5.7 | 2 |
| Completeness [%] | 98.6 | 98.1 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG400, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
