4ZEG
Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-09 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.311, 106.693, 111.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.530 - 2.330 |
| R-factor | 0.21197 |
| Rwork | 0.209 |
| R-free | 0.26289 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.640 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.038 | 0.446 |
| Number of reflections | 18900 | |
| <I/σ(I)> | 22.37 | 2.64 |
| Completeness [%] | 98.9 | 95.6 |
| Redundancy | 6.35 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M MgCl2, 0.1M Tris pH 8.5, 25% PEG 3500 |
