3NWW
P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-20 |
Detector | RIGAKU SATURN 92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.155, 75.055, 78.628 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.900 - 2.090 |
R-factor | 0.2137 |
Rwork | 0.211 |
R-free | 0.25440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.9.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.640 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.059 | 0.473 |
Number of reflections | 24028 | |
<I/σ(I)> | 24.6 | 3.8 |
Completeness [%] | 90.0 | 57.5 |
Redundancy | 7.2 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |