2UW5
Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.237, 74.065, 79.627 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.450 - 2.140 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.941 |
Refinement software | REFMAC (5.2.0019G) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.400 | 2.260 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.090 | 0.350 |
Number of reflections | 22458 | |
<I/σ(I)> | 7.5 | 2.1 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 2.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |