3D83
Crystal structure of P38 kinase in complex with a biphenyl amide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.87000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.240, 86.523, 127.108 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.21800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1wfc |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.378 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.3.0006) |
| Refinement software | REFMAC (5.3.0006) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.053 | 0.524 |
| Number of reflections | 34124 | |
| <I/σ(I)> | 12.9 | 1.7 |
| Completeness [%] | 82.4 | 72.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | Authors suggest to see publication for details, pH 6.5, VAPOR DIFFUSION, temperature 293K |
