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 |