1PMU
The crystal structure of JNK3 in complex with a phenantroline inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-08-04 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.401, 62.377, 98.119 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.700 |
R-factor | 0.221 |
Rwork | 0.218 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pmn |
RMSD bond length | 0.011 |
RMSD bond angle | 22.000 * |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Phasing software | AMoRE |
Refinement software | CNX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.123 * | 0.454 * |
Number of reflections | 10987 | 1668 * |
<I/σ(I)> | 5.7 | 1.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.9 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | PEG MMe 550, Ethylene glycol, Hepes, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | AMP-PCP | 1 (mM) | |
3 | 1 | drop | 2 (mM) | ||
4 | 1 | reservoir | PEG550 MME | 20 (%) | |
5 | 1 | reservoir | ethylene glycol | 10 (%) | |
6 | 1 | reservoir | HEPES | 0.1 (M) | pH7.3 |