5NEI
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-16 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.983 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.350, 91.360, 35.940 |
| Unit cell angles | 90.00, 99.71, 90.00 |
Refinement procedure
| Resolution | 45.680 - 2.680 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.24760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p2w |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.126 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.360 | 2.776 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Number of reflections | 5948 | |
| <I/σ(I)> | 9.56 | 2.19 |
| Completeness [%] | 99.0 | 99.37 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 292 | 10% PEG 3350, 100 mM Na/K tartrate |
