1GXF
CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH THE INHIBITOR QUINACRINE MUSTARD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 43 |
Unit cell lengths | 93.100, 93.100, 156.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.000 - 2.700 |
Rwork | 0.190 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tyt |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.000 | 2.900 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.080 | 0.340 |
Number of reflections | 29073 | |
<I/σ(I)> | 9.4 | 2.6 |
Completeness [%] | 79.0 | 82 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | MALEIC BUFFER, PEG 4000, pH 6.00 |