3WSA
The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-05 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.750, 154.006, 90.615 |
| Unit cell angles | 90.00, 91.38, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.900 |
| Rwork | 0.206 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezf |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.111 | 0.414 |
| Number of reflections | 48462 | |
| <I/σ(I)> | 10.9 | 1.8 |
| Completeness [%] | 93.5 | 81.1 |
| Redundancy | 3.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 295 | 0.2M sodium citrate, pH 8.2, 28% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
