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 |