6GVX
Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.475, 80.074, 77.975 |
| Unit cell angles | 90.00, 110.58, 90.00 |
Refinement procedure
| Resolution | 48.672 - 2.240 |
| R-factor | 0.205 |
| Rwork | 0.203 |
| R-free | 0.23960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d2v |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.569 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.672 | 2.320 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.079 | 0.800 |
| Number of reflections | 36063 | 3575 |
| <I/σ(I)> | 18.7 | |
| Completeness [%] | 99.1 | 96.1 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | HEPES, PEG 3350 |
