5H7O
Crystal structure of DJ-101 in complex with tubulin protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-18 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.199, 157.029, 182.576 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
R-factor | 0.21637 |
Rwork | 0.214 |
R-free | 0.25623 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.139 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.800 |
Number of reflections | 75002 |
<I/σ(I)> | 19.3 |
Completeness [%] | 100.0 |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 6% poly(ethylene glycol) 4000, 8% glycerol, 0.1 M Mes, 30 mM CaCl2 and 30 mM MgCl2 (pH 6.7) |