3THB
Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Detector technology | CCD |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97989 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 67.668, 67.668, 154.684 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.25347 |
| Rwork | 0.250 |
| R-free | 0.28591 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2owb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.394 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
| Rmerge | 0.084 | 0.047 | 0.396 |
| Number of reflections | 13436 | ||
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 90.6 | 98.8 | 50.3 |
| Redundancy | 6.5 | 6.5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
