4MKC
Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2013-05-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9765 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.640, 57.650, 105.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.420 - 2.010 |
| R-factor | 0.1734 |
| Rwork | 0.171 |
| R-free | 0.21790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l9p |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.420 | 2.040 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Number of reflections | 21666 | |
| Completeness [%] | 99.5 | 90.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 20% PEG3350, 0.2M Sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
