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 |
