5NMM
The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.360, 93.040, 35.910 |
| Unit cell angles | 90.00, 100.22, 90.00 |
Refinement procedure
| Resolution | 46.520 - 2.020 |
| R-factor | 0.1948 |
| Rwork | 0.192 |
| R-free | 0.23700 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.868 |
| 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] | 46.520 | 2.070 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.058 | 0.701 |
| Rpim | 0.044 | 0.618 |
| Number of reflections | 13900 | 1009 |
| <I/σ(I)> | 11.4 | 2.4 |
| Completeness [%] | 98.1 | 97.3 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 200 mM K/Na Tartrate, 20% PEG3350 |
