4E73
Crystal structure of JNK1beta-JIP in complex with an azaquinolone inhbitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-04 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.901, 79.840, 85.524 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.700 - 2.270 |
| R-factor | 0.249 |
| Rwork | 0.247 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ukh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.800 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.700 | 2.390 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.042 | 0.488 |
| Number of reflections | 20514 | |
| <I/σ(I)> | 27.9 | 4.3 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 7.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 13-16% PEG 3350, 0.1M Ada pH 6.0, 10 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
