2F51
Structure of Trichomonas vaginalis thioredoxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-06-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9330 |
Spacegroup name | P 1 |
Unit cell lengths | 33.882, 33.923, 50.497 |
Unit cell angles | 106.20, 109.02, 91.68 |
Refinement procedure
Resolution | 32.290 - 1.900 |
R-factor | 0.14728 |
Rwork | 0.145 |
R-free | 0.19685 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB model 2TIR manipulated with MODELLER |
RMSD bond length | 0.009 |
RMSD bond angle | 1.148 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.290 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.038 | 0.074 |
Number of reflections | 14428 | |
<I/σ(I)> | 14.3 | 9.2 |
Completeness [%] | 90.5 | 76.6 |
Redundancy | 1.88 | 1.79 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 293 | PEG4000, ammonium sulfate, sodium acetate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |