2I0H
The structure of p38alpha in complex with an arylpyridazinone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.722, 88.225, 121.456 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.22800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1wfc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.440 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.093 | 0.367 |
| Number of reflections | 32668 | |
| <I/σ(I)> | 4.9 | 1.8 |
| Completeness [%] | 97.8 | 87.7 |
| Redundancy | 6.6 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 284 | SODIUM CITRATE, AMMONIUM SULFATE, HEPES, PH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 284K |
