4BKY
Crystal structure of unphosphorylated Maternal Embryonic Leucine zipper Kinase (MELK) in complex with pyrrolopyrazole 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 | CCD |
| Collection date | 2010-02-17 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.979, 64.266, 92.649 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.720 - 1.830 |
| R-factor | 0.20392 |
| Rwork | 0.203 |
| R-free | 0.22293 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zmu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.507 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.770 | 1.930 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.080 | 0.720 |
| Number of reflections | 31014 | |
| <I/σ(I)> | 11.2 | 2.1 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 10% PEG 3350, 0.1M BIS-TRIS PH 6.5, 0.2M SODIUM CHLORIDE |
