2BAJ
p38alpha bound to pyrazolourea
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.87 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.000, 67.104, 87.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.250 |
| R-factor | 0.22131 |
| Rwork | 0.217 |
| R-free | 0.30281 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.640 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.500 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 17097 | |
| Completeness [%] | 100.0 | 83.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 6-10% PEG-MME 5000 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
