3GFW
Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97642 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.969, 114.686, 111.174 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.400 - 2.740 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cek |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.580 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.302 | 2.890 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.073 | 0.647 |
| Number of reflections | 12085 | |
| <I/σ(I)> | 10.3 | 2 |
| Completeness [%] | 99.1 | 99.9 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 40% PEG300, 0.25M NaCl, 0.1M Na/K phosphate pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
