3MPT
Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-20 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.376, 85.859, 124.463 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.890 |
| R-factor | 0.239 |
| Rwork | 0.236 |
| R-free | 0.29800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1wfc |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.511 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.230 | 1.950 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.138 | 0.446 |
| Total number of observations | 19775 | |
| Number of reflections | 37532 | |
| <I/σ(I)> | 7.9 | 3.5 |
| Completeness [%] | 93.8 | 90.8 |
| Redundancy | 5.66 | 5.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | See publication for details , pH 6.5, VAPOR DIFFUSION, temperature 293K |
