5N84
TTK kinase domain in complex with Mps-BAY2b
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 | 2013-12-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 71.178, 112.199, 115.983 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.730 - 2.300 |
| R-factor | 0.20726 |
| Rwork | 0.204 |
| R-free | 0.26068 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n7v |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.852 |
| 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] | 41.730 | 2.380 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.050 | |
| Rpim | 0.035 | 0.710 |
| Number of reflections | 20978 | 2044 |
| <I/σ(I)> | 16.1 | 1.6 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.5 | 5.7 |
| CC(1/2) | 0.999 | 0.810 |
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 |
