2ZDT
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 | 50.331, 71.687, 108.103 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.630 - 2.000 |
Rwork | 0.216 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jnk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.063 | 0.269 |
Number of reflections | 26941 | |
<I/σ(I)> | 13 | 4.8 |
Completeness [%] | 99.3 | 99 |
Redundancy | 5.61 | 4.27 |
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 293K |