2B1P
inhibitor complex of JNK3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9756 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.336, 71.935, 107.306 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.700 - 1.900 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.343 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.700 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 31350 | |
| Completeness [%] | 99.7 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG400, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
