6TDE
Tubulin-inhibitor complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978570 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.477, 128.142, 251.117 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 2.286 |
R-factor | 0.1993 |
Rwork | 0.198 |
R-free | 0.23160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ryc |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data reduction software | XDS (Mar 15, 2019) |
Data scaling software | autoPROC (1.05) |
Phasing software | PHASER (2.8.0) |
Refinement software | BUSTER (2.10.3 (23-SEP-2019)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 125.000 | 2.550 |
High resolution limit [Å] | 2.286 | 2.286 |
Rmeas | 0.071 | 1.055 |
Number of reflections | 49337 | 2468 |
<I/σ(I)> | 14 | |
Completeness [%] | 93.9 | 78.6 |
Redundancy | 6.5 | 6.4 |
CC(1/2) | 0.999 | 0.725 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG, LiSO4, PIPES BUFFER, pH 6.80 |