3ROC
Crystal structure of human p38 alpha complexed with a pyrimidinone compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2004-08-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.311, 74.609, 77.752 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.700 |
R-factor | 0.239 |
Rwork | 0.239 |
R-free | 0.27600 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 42071 | |
Completeness [%] | 17.7 | 96.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 20-30% PEG3000, 10MM CaCl2, 50MM CHES, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |