4YUR
Crystal Structure of Plk4 Kinase Domain Bound to Centrinone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 125.805, 125.805, 125.805 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.900 - 2.650 |
| R-factor | 0.2024 |
| Rwork | 0.199 |
| R-free | 0.26950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cok |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.389 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.900 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.102 | 2.374 |
| Number of reflections | 9793 | |
| <I/σ(I)> | 30.4 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 22.2 | 22.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 297 | 0.1 M HEPES, 0.2 M MgCl2, 30% PEG 400 |
