4TYH
Ternary complex of P38 and MK2 with a P38 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 87.726, 87.726, 229.876 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.850 - 3.000 |
| R-factor | 0.2324 |
| Rwork | 0.228 |
| R-free | 0.31254 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.292 |
| Refinement software | REFMAC (5.5.0090) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.200 | 0.660 |
| Number of reflections | 18845 | |
| <I/σ(I)> | 5.7 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.86 | 7.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 9% PEG 4K, 100mM NaCit, pH 5.6 |
