5NJE
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-03 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.402, 93.601, 36.175 |
| Unit cell angles | 90.00, 101.73, 90.00 |
Refinement procedure
| Resolution | 35.420 - 1.978 |
| R-factor | 0.2261 |
| Rwork | 0.224 |
| R-free | 0.26570 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.122 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.600 | 1.985 |
| High resolution limit [Å] | 1.978 | 1.978 |
| Rmerge | 0.097 | 1.169 |
| Number of reflections | 14689 | 154 |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 96.6 | 96.2 |
| Redundancy | 4.4 | 4.4 |
| CC(1/2) | 0.995 | 0.766 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 200 mM K/Na Tartrate, 10-20 % PEG3350 |
