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 |