3MW1
p38 kinase Crystal structure in complex with small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.260, 87.230, 122.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.930 - 2.800 |
| R-factor | 0.25902 |
| Rwork | 0.255 |
| R-free | 0.33907 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hrb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.199 |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.110 | 0.377 |
| Number of reflections | 11267 | |
| Completeness [%] | 90.1 | 98.4 |
| Redundancy | 2.92 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 22% PEG 3350, 0.2M NaCl, 0.1 M Bis-Tris pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
