4KKH
The crystal structure of inhibitor-bound JNK3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-23 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.324, 71.499, 107.081 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.450 - 2.000 |
R-factor | 0.23151 |
Rwork | 0.229 |
R-free | 0.27676 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.109 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 37.450 |
High resolution limit [Å] | 2.000 |
Number of reflections | 26471 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.25 | 277 | 16% PEG MME 550, 10% Ethylene glycol, 0.1 M Hepes, 10 mM TCEP, pH 7.25, VAPOR DIFFUSION, HANGING DROP, temperature 277K |