2XAE
Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((S)-2-methyl-1,1-diphenylbutylthio)propanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2010-03-08 |
Detector | ADSC CCD |
Spacegroup name | P 32 |
Unit cell lengths | 96.770, 96.770, 124.751 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.18512 |
Rwork | 0.181 |
R-free | 0.25708 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wog |
RMSD bond length | 0.013 |
RMSD bond angle | 1.832 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.090 | 0.410 |
Number of reflections | 40212 | |
<I/σ(I)> | 14.2 | 4.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.3 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 24% POLYETHYLENE GLYCOL-3350, 0.25 M AMMONIUM SULPHATE, 0.01 M TRIMETHYLAMINE HYDROCHLORIDE AND 0.1 M MES PH 6.0 |