5N87
TTK kinase domain in complex with NTRC 0066-0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-07 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 71.090, 112.230, 113.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.340 - 2.290 |
| R-factor | 0.19979 |
| Rwork | 0.198 |
| R-free | 0.23829 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n7v |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.232 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.340 | 2.370 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.044 | 0.659 |
| Rpim | 0.020 | 0.295 |
| Number of reflections | 20883 | 2020 |
| <I/σ(I)> | 20.5 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.6 | 6.9 |
| CC(1/2) | 0.999 | 0.928 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | 32 - 37% PEG400 (Acros, Geel, Belgium), 0.1 M Na/K phosphate pH 6.3 and 250 mM NaCl. |
