6EMH
Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-22 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.560, 114.260, 157.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.010 - 1.760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x21 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.515 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.760 |
Rmeas | 0.089 |
Number of reflections | 157963 |
<I/σ(I)> | 22.98 |
Completeness [%] | 99.9 |
Redundancy | 26.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM Bis-Tris pH5.5, 200 mM NaCl, 29% PEG 3350, 1mM AMP-PCP, 0.4 mM Zwittergent 3-14, 10% Ethylene glycol |