5H2U
Crystal structure of PTK6 Kinase Domain complexed with Dasatinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-10-28 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54789 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.881, 77.018, 87.413 |
| Unit cell angles | 81.36, 75.76, 74.92 |
Refinement procedure
| Resolution | 84.520 - 2.240 |
| R-factor | 0.2083 |
| Rwork | 0.205 |
| R-free | 0.26010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d7v |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.310 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.520 | 2.320 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.099 | 0.487 |
| Number of reflections | 58073 | |
| <I/σ(I)> | 9.3 | 1.5 |
| Completeness [%] | 94.7 | 83.1 |
| Redundancy | 2.4 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M tri-Lithium citrate, 20 %(w/v) PEG 3350 |
