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 |