4BBG
Crystal structure of human kinesin Eg5 in complex with 3-(((2-Aminoethyl)sulfanyl)(3-ethylphenyl) phenylmethyl)phenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2010-11-18 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | I 21 3 |
Unit cell lengths | 158.190, 158.190, 158.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.750 |
R-factor | 0.18491 |
Rwork | 0.182 |
R-free | 0.22964 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ken |
RMSD bond length | 0.022 |
RMSD bond angle | 2.017 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.080 | 0.430 |
Number of reflections | 17253 | |
<I/σ(I)> | 17 | 5.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.6 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 22 % POLYETHYLENE GLYCOL-3350, 0.3 M AMMONIUM SULPHATE, 0.1 M MES PH 5.5 AND 0.01 M TRIMETHYLAMINE HYDROCHLORIDE |