1M7Q
Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.516, 87.163, 124.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.400 |
| Rwork | 0.217 |
| R-free | 0.25400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1wfc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 22.310 * |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.115 | 0.481 |
| Number of reflections | 19421 | |
| <I/σ(I)> | 8.4 | 1.2 |
| Completeness [%] | 96.8 | 79.8 |
| Redundancy | 6.5 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 * | 298 | Wilson, K.P., (1996) J.Biol.Chem., 271, 27696. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 24 (mg/ml) | |
| 10 | 1 | reservoir | sodium citrate | 0.56 (M) | |
| 11 | 1 | reservoir | ammonium sulfate | 130 (mM) | |
| 2 | 1 | drop | HEPES | 30 (mM) | |
| 3 | 1 | drop | DTT | 6 (mM) | |
| 4 | 1 | drop | 0.06 (M) | ||
| 5 | 1 | drop | glycerol | 3 (%) | |
| 6 | 1 | drop | Na HEPES | 16 (mM) | |
| 7 | 1 | drop | sodium citrate | 0.224 (M) | |
| 8 | 1 | drop | ammonium sulfate | 52 (mM) | |
| 9 | 1 | reservoir | Na HEPES | 40 (mM) |
