8A9T
Tubulin-[1,2]oxazoloisoindole-1 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 | 105.212, 158.054, 180.717 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.910 - 2.304 |
R-factor | 0.1963 |
Rwork | 0.194 |
R-free | 0.23660 |
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] | 49.632 | 49.632 | 2.440 |
High resolution limit [Å] | 2.300 | 6.850 | 2.300 |
Rmerge | 0.188 | 0.032 | 3.245 |
Rmeas | 0.203 | 0.035 | 3.523 |
Total number of observations | 1798313 | ||
Number of reflections | 257119 | 9762 | 41489 |
<I/σ(I)> | 9.34 | 51.38 | 0.53 |
Completeness [%] | 99.9 | 99.7 | 99.7 |
Redundancy | 6.994 | 7.459 | 6.566 |
CC(1/2) | 0.997 | 0.999 | 0.139 |
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 |