5M5A
Crystal structure of MELK in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.282, 91.206, 59.649 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.930 - 1.900 |
| R-factor | 0.18672 |
| Rwork | 0.185 |
| R-free | 0.21366 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house MELK structure |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.855 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.930 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.032 | 0.224 |
| Number of reflections | 22643 | |
| <I/σ(I)> | 21.3 | 5.6 |
| Completeness [%] | 94.7 | 84.2 |
| Redundancy | 4.5 | 4.6 |
| CC(1/2) | 1.000 | 0.974 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10-20% PEG 3350 or PEG 4000, 0.1M BIS TRIS pH 6.5, 0.6 M NaCl |
