1W7H
p38 Kinase crystal structure in complex with small molecule inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MSC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.771, 87.101, 126.337 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.663 - 2.214 |
R-factor | 0.1828 |
Rwork | 0.183 |
R-free | 0.23290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1P38 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.837 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 19.660 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.060 |
Number of reflections | 25916 |
<I/σ(I)> | 11.1 |
Completeness [%] | 94.4 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7.00 |