5N7V
TTK kinase domain in complex with MPI-0479605
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 | 71.030, 112.010, 114.043 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.330 - 2.520 |
| R-factor | 0.19838 |
| Rwork | 0.194 |
| R-free | 0.27839 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cek |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.550 |
| 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] | 41.330 | 2.620 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.051 | |
| Rpim | 0.022 | 0.435 |
| Number of reflections | 15719 | 1740 |
| <I/σ(I)> | 16.9 | 1.8 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.48 | 6.6 |
| CC(1/2) | 0.783 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 273 | 32 - 37% PEG400 (Acros, Geel, Belgium), 0.1 M Na/K phosphate pH 6.3 and 250 mM NaCl |
