6I7N
Trypanothione Reductase from Leismania infantum in complex with TRL156
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979260 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.184, 106.387, 186.548 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.680 - 3.300 |
| R-factor | 0.23825 |
| Rwork | 0.237 |
| R-free | 0.27323 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jk6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.606 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.680 | 3.560 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rpim | 0.070 | 0.390 |
| Number of reflections | 23420 | |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 81.7 | |
| Redundancy | 3.3 | 2.6 |
| CC(1/2) | 0.990 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 2.2M ammonium sulphate, 0.1M Tris-HCl pH 8-8.5 |
