5NN2
The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490
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 | 2015-10-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 33.360, 93.380, 35.900 |
Unit cell angles | 90.00, 100.72, 90.00 |
Refinement procedure
Resolution | 35.273 - 1.810 |
R-factor | 0.1887 |
Rwork | 0.187 |
R-free | 0.21860 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.987 |
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] | 35.273 | 1.860 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.053 | 0.908 |
Rpim | 0.042 | 0.599 |
Number of reflections | 19250 | 1419 |
<I/σ(I)> | 11.2 | 1.5 |
Completeness [%] | 97.8 | 96.8 |
Redundancy | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 200 mM K/Na Tartrate, 10-20% PEG3350 |