8BDE
Tubulin-baccatin III complex
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 | 2018-04-27 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.99987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.100, 157.150, 179.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.195 - 1.902 |
R-factor | 0.1921 |
Rwork | 0.192 |
R-free | 0.21770 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5lxt |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.195 | 49.195 | 1.950 |
High resolution limit [Å] | 1.900 | 8.510 | 1.900 |
Rmerge | 0.107 | 0.021 | 4.919 |
Rmeas | 0.111 | 0.022 | 5.131 |
Total number of observations | 3109004 | ||
Number of reflections | 229672 | 2799 | 16780 |
<I/σ(I)> | 16.49 | 94.91 | 0.54 |
Completeness [%] | 100.0 | 99.1 | 99.8 |
Redundancy | 13.537 | 12.775 | 12.428 |
CC(1/2) | 1.000 | 1.000 | 0.178 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.7 | 293 | 2-4% PEG 4K, 2-10% glycerol, 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole |