2WD2
A chimeric microtubule disruptor with efficacy on a taxane resistant cell line
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-13 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.067, 71.708, 74.136 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.930 - 1.490 |
R-factor | 0.206 |
Rwork | 0.205 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ttm |
RMSD bond length | 0.007 |
RMSD bond angle | 1.142 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.540 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.110 | 0.320 |
Number of reflections | 37376 | |
<I/σ(I)> | 11.8 | 2.1 |
Completeness [%] | 93.3 | 62.8 |
Redundancy | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 100 MM TRIS-HCL, 1 MM ZNSO4, 2.5 M AMMONIUM SULFATE; 30 MM 2-MERCAPTOETHANOL, 0.5 MM 2-(3-METHOXYBENZYL)-6-O-SULFAMOYL-7-METHOXY-1,2,3,4- TETRAHYDROISOQUINOLINE, PH 8.0, VAPOUR DIFFUSION, HANGING DROP, TEMPERATURE 277K |