3ZSG
X-ray structure of p38alpha bound to TAK-715
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 | 2010-09-15 |
| Detector | RIGAKU-MSC R-AXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.540, 70.170, 74.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.080 - 1.890 |
| R-factor | 0.19144 |
| Rwork | 0.189 |
| R-free | 0.23298 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.211 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.000 | 2.000 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.060 | 0.450 |
| Number of reflections | 29397 | |
| <I/σ(I)> | 19.7 | 4.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.2 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
