3HRB
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 |
| Collection date | 2005-06-23 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.220, 86.750, 122.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.700 - 2.200 |
| R-factor | 0.217 |
| Rwork | 0.214 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a9u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.202 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.744 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.057 | 0.367 |
| Number of reflections | 20806 | |
| <I/σ(I)> | 9.5 | 2.2 |
| Completeness [%] | 84.2 | 89.1 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 22% PEG 3350, 0.2M NaCl, 0.1M Bis-Tris pH 6.5, 1mM THP, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
