4ADW
CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM TRYPANOTHIONE REDUCTASE IN COMPLEX WITH NADPH AND TRYPANOTHIONE
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 | 2011-06-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 41 |
| Unit cell lengths | 103.940, 103.940, 192.244 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.610 |
| R-factor | 0.2522 |
| Rwork | 0.249 |
| R-free | 0.30430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jk6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.480 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.730 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rmerge | 0.100 | 0.370 |
| Number of reflections | 23097 | |
| <I/σ(I)> | 13.8 | 2.9 |
| Completeness [%] | 98.0 | 99 |
| Redundancy | 6.4 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1 M TRIS PH 8.5, 2.2 M AMMONIUM SULPHATE |
