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 |