2VO6
Structure of PKA-PKB chimera complexed with 4-(4-Chlorobenzyl)-1-(7H- pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-ylamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | RIGAKU CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.910, 74.291, 80.104 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.020 - 1.970 |
R-factor | 0.175 |
Rwork | 0.172 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.324 |
Refinement software | REFMAC (5.2.0019I) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.000 | 2.090 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.040 | 0.130 |
Number of reflections | 28840 | |
<I/σ(I)> | 5.1 | |
Completeness [%] | 97.1 | 90.5 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |