2X50
Crystal structure of Trypanothione reductase from Leishmania infantum in complex with NADPH and silver
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 41 |
| Unit cell lengths | 102.323, 102.323, 193.561 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 3.300 |
| R-factor | 0.23105 |
| Rwork | 0.229 |
| R-free | 0.26452 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jk6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.974 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | M |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.420 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.170 | 0.800 |
| Number of reflections | 29722 | |
| <I/σ(I)> | 8.87 | 1.99 |
| Completeness [%] | 98.9 | 99.5 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 2.2 M AMMONIUM SULFATE, 0.1 M TRIS, pH 8.5 |
