3NWW
P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-20 |
| Detector | RIGAKU SATURN 92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.155, 75.055, 78.628 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.900 - 2.090 |
| R-factor | 0.2137 |
| Rwork | 0.211 |
| R-free | 0.25440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.9.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.640 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.059 | 0.473 |
| Number of reflections | 24028 | |
| <I/σ(I)> | 24.6 | 3.8 |
| Completeness [%] | 90.0 | 57.5 |
| Redundancy | 7.2 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
