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 |