7PJF
Inhibiting parasite proliferation using a rationally designed anti-tubulin agent
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 | 2016-10-31 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.784, 91.312, 82.657 |
| Unit cell angles | 90.00, 97.55, 90.00 |
Refinement procedure
| Resolution | 45.660 - 1.862 |
| R-factor | 0.1855 |
| Rwork | 0.184 |
| R-free | 0.21850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4drx |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.660 | 1.929 |
| High resolution limit [Å] | 1.862 | 1.862 |
| Rmerge | 0.070 | 1.220 |
| Rmeas | 0.076 | |
| Rpim | 0.029 | 0.503 |
| Number of reflections | 90758 | 8956 |
| <I/σ(I)> | 19.16 | 1.75 |
| Completeness [%] | 99.8 | 98.65 |
| Redundancy | 6.8 | 6.7 |
| CC(1/2) | 0.999 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 100 mM Bis-TrisMethane, pH 5.5, supplemented with 200 mM ammonium sulfate and 25% PEG3350 |
