5NJH
Triazolopyrimidines stabilize microtubules by binding to the vinca inhibitor site of tubulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-21 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 103.430, 158.353, 173.458 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.086 - 2.394 |
R-factor | 0.2178 |
Rwork | 0.217 |
R-free | 0.23710 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4i4t |
RMSD bond length | 0.009 |
RMSD bond angle | 1.425 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((dev_2420: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.090 | 2.479 |
High resolution limit [Å] | 2.394 | 2.394 |
Rmerge | 0.142 | |
Number of reflections | 112238 | |
<I/σ(I)> | 18.6 | 1.27 |
Completeness [%] | 99.7 | 96.76 |
Redundancy | 13.4 | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 10% PEG 4K, 20% glycerol, 30 mM CaCl2, 30 mM MgCl2, 0.1 M MES/imidazole, pH 6.7, 1 mM AMPPCP, 10 mM DTT, 0.1 mM GDP |