3OCG
P38 Alpha kinase complexed with a 5-amino-pyrazole based 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 | 2002-11-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.940, 71.430, 80.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.430 - 2.210 |
| R-factor | 0.214 |
| Rwork | 0.212 |
| R-free | 0.27000 |
| Structure solution method | MR |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.9.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.370 |
| High resolution limit [Å] | 2.200 | 2.280 |
| Rmerge | 0.062 | 0.298 |
| Number of reflections | 17075 | |
| <I/σ(I)> | 30 | 3.3 |
| Completeness [%] | 84.1 | 59.8 |
| Redundancy | 5.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
