3MPT
Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-10-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.376, 85.859, 124.463 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.890 |
R-factor | 0.239 |
Rwork | 0.236 |
R-free | 0.29800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1wfc |
RMSD bond length | 0.013 |
RMSD bond angle | 1.511 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.230 | 1.950 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.138 | 0.446 |
Total number of observations | 19775 | |
Number of reflections | 37532 | |
<I/σ(I)> | 7.9 | 3.5 |
Completeness [%] | 93.8 | 90.8 |
Redundancy | 5.66 | 5.53 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | See publication for details , pH 6.5, VAPOR DIFFUSION, temperature 293K |