4U79
Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.933, 71.632, 106.595 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.230 |
| R-factor | 0.21752 |
| Rwork | 0.216 |
| R-free | 0.24889 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3da6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.418 |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.127 | 0.558 |
| Number of reflections | 21261 | |
| <I/σ(I)> | 12.18 | 2.04 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.8 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M HEPES, 20mMBMe, 30%PEG550MME, pH7.5 |
