2A87
Crystal Structure of M. tuberculosis Thioredoxin reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.927 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 107.400, 107.400, 118.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.000 - 3.000 |
| R-factor | 0.21508 |
| Rwork | 0.211 |
| R-free | 0.29066 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tde |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.346 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0016) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.081 | 0.369 |
| Number of reflections | 14186 | |
| <I/σ(I)> | 16.2 | 14.8 |
| Completeness [%] | 97.0 | 97.9 |
| Redundancy | 2.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 15% PEG 3350, Sodium phosphate citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
