2IEH
Crystal structure of human kinesin Eg5 in complex with (R)-mon97, a new monastrol-based inhibitor that binds as (R)-enantiomer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-10 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.979645 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.370, 79.900, 159.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.700 |
R-factor | 0.2358 |
Rwork | 0.234 |
R-free | 0.28120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q0b |
RMSD bond length | 0.012 |
RMSD bond angle | 1.800 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 51576 | |
<I/σ(I)> | 7.71 | 2.95 |
Completeness [%] | 97.8 | 84.3 |
Redundancy | 4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 20%PEG4000, 0.2M K2HPO4, 0.1M MES, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |