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 |