8A9Z
Tubulin-[1,2]oxazoloisoindole-2e 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 | 2020-11-26 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.999999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.500, 155.847, 178.855 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.887 - 2.294 |
R-factor | 0.21 |
Rwork | 0.199 |
R-free | 0.23960 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5lxt |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.887 | 49.887 | 2.430 |
High resolution limit [Å] | 2.290 | 6.830 | 2.290 |
Rmerge | 0.225 | 0.034 | 3.704 |
Rmeas | 0.243 | 0.036 | 3.998 |
Total number of observations | 1770704 | ||
Number of reflections | 252262 | 9574 | 40564 |
<I/σ(I)> | 8.45 | 49.32 | 0.49 |
Completeness [%] | 99.9 | 99.7 | 99.3 |
Redundancy | 7.019 | 7.535 | 7.037 |
CC(1/2) | 0.996 | 1.000 | 0.126 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 4% PEG 4K, 8% glycerol, 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole, 5 mM L-tyrosine |