2W0H
X ray structure of Leishmania infantum Trypanothione reductase in complex with antimony and NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 |
| Unit cell lengths | 102.945, 102.945, 193.129 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 103.140 - 3.000 |
| R-factor | 0.239 |
| Rwork | 0.238 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fea |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.102 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 3.190 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.110 | 0.360 |
| Number of reflections | 44389 | |
| <I/σ(I)> | 9.6 | 3.6 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 2.2 M AMMONIUM SULPHATE, 0.1 M TRIS PH 7.5, 25 % GLYCEROL |
