3E92
Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-01-21 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.516, 86.224, 124.191 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.21600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1wfc |
RMSD bond length | 0.016 |
RMSD bond angle | 1.547 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.1.05) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.059 | 0.554 |
Number of reflections | 29459 | |
<I/σ(I)> | 18.4 | 1.9 |
Completeness [%] | 87.1 | 69.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 18-22% PEG 5000MME, 0.18M ammonium sulphate, 3-4% jeffamine, 0.1M ADA, pH 6.5, VAPOR DIFFUSION, temperature 293K |