2YAU
X-ray structure of the Leishmania infantum tryopanothione reductase in complex with auranofin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-06 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 41 |
| Unit cell lengths | 103.058, 103.058, 191.604 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.500 |
| R-factor | 0.26972 |
| Rwork | 0.267 |
| R-free | 0.31912 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jk6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.239 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 3.500 |
| Rmerge | 0.170 |
| Number of reflections | 25665 |
| <I/σ(I)> | 9.04 |
| Completeness [%] | 100.0 |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 2.2 M AMMONIUM SULFATE, 0.1 M TRIS BUFFER PH 8.5 |
