7PJE
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 | 2020-09-26 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.130, 183.920, 118.323 |
| Unit cell angles | 90.00, 92.44, 90.00 |
Refinement procedure
| Resolution | 46.830 - 1.750 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.21320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4drx |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.830 | 1.813 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.073 | 1.177 |
| Rmeas | 0.080 | |
| Rpim | 0.033 | 0.516 |
| Number of reflections | 219447 | 20372 |
| <I/σ(I)> | 12.84 | 1.57 |
| Completeness [%] | 98.4 | 91.63 |
| Redundancy | 5.9 | 6 |
| CC(1/2) | 0.997 | 0.796 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2 M sodium sulfate, 10% DMSO and 18 % PEG 3350 |
