4TPT
Crystal Structure of the Human LIMK2 Kinase Domain In Complex With a Non-ATP Competitive Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-08-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.569, 77.903, 86.387 |
| Unit cell angles | 90.00, 100.84, 90.00 |
Refinement procedure
| Resolution | 84.820 - 2.600 |
| R-factor | 0.22294 |
| Rwork | 0.220 |
| R-free | 0.27413 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.932 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.820 | 2.770 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.053 | 0.724 |
| Number of reflections | 20794 | |
| <I/σ(I)> | 0 | |
| Completeness [%] | 97.6 | 87.8 |
| Redundancy | 3.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | The purified protein was used in crystallisation trials employing both, a standard screen with approximately 1200 different conditions, as well as crystallisation conditions identified using literature data. |
