2VO7
Structure of PKA 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 | 72.488, 75.143, 80.203 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.360 - 1.980 |
R-factor | 0.191 |
Rwork | 0.188 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.391 |
Refinement software | REFMAC (5.2.0019I) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.000 | 2.100 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.040 | 0.190 |
Number of reflections | 28363 | |
<I/σ(I)> | 4.2 | |
Completeness [%] | 95.9 | 86.9 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |