3IW5
Human p38 MAP Kinase in Complex with an Indole Derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-03-27 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.54170 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.070, 70.050, 74.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.540 - 2.500 |
| R-factor | 0.211 |
| Rwork | 0.205 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zyj |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.839 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (1.3.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.084 | 0.290 |
| Number of reflections | 12902 | 1406 |
| <I/σ(I)> | 15.05 | 5.2 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 3.95 | 3.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM MES, 20-30% PEG 4000, 50mM n-BOG, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
