3D83
Crystal structure of P38 kinase in complex with a biphenyl amide inhibitor
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 | 2001-06-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.87000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.240, 86.523, 127.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.21800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1wfc |
RMSD bond length | 0.017 |
RMSD bond angle | 1.378 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.3.0006) |
Refinement software | REFMAC (5.3.0006) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.053 | 0.524 |
Number of reflections | 34124 | |
<I/σ(I)> | 12.9 | 1.7 |
Completeness [%] | 82.4 | 72.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | Authors suggest to see publication for details, pH 6.5, VAPOR DIFFUSION, temperature 293K |