6FTC
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with HEPES
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 | PIXEL |
| Collection date | 2016-02-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.934, 102.637, 61.646 |
| Unit cell angles | 90.00, 113.08, 90.00 |
Refinement procedure
| Resolution | 38.051 - 1.800 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v6o |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.854 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.051 | 9.000 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.066 | |
| Number of reflections | 76141 | 4492 |
| <I/σ(I)> | 13.1 | 2.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.7 | 4.4 |
| CC(1/2) | 0.998 | 0.702 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294.15 | PEG 3350 20%, HEPES 0.1 M pH=7.2., KI 0.2 M, 5mM Bme. |
