2ZDU
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL32B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-07 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.956, 70.267, 107.947 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.940 - 2.500 |
| Rwork | 0.241 |
| R-free | 0.31900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jnk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.100 | 0.366 |
| Number of reflections | 15311 | |
| <I/σ(I)> | 12.5 | 5 |
| Completeness [%] | 98.3 | 97.6 |
| Redundancy | 6.73 | 6.71 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20% Pentaerythritol ethoxylate (15/4 EO/OH), 0.1M ammonium sulfate, 0.1M Bis-Tris , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
