4O4L
Tubulin-Peloruside A-Epothilone A complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-02 |
Detector | PSI PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.400, 156.330, 180.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.100 - 2.200 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.22400 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | 404J |
RMSD bond length | 0.003 |
RMSD bond angle | 0.837 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.100 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.122 | 4.112 |
Number of reflections | 149698 | |
<I/σ(I)> | 15.9 | 0.75 |
Completeness [%] | 99.9 | 99 |
Redundancy | 13.6 | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.7 | 293 | 6% PEG, 16% glycerol, 30 mM magnesium chloride, 30 mM calcium chloride, 0.1M MES/0.1M imidazole, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |