5NYN
Crystal structure of the atypical poplar thioredoxin-like2.1 in complex with gluathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2011-11-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.708, 52.146, 59.776 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.400 - 1.600 |
| R-factor | 0.1659 |
| Rwork | 0.165 |
| R-free | 0.19020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.700 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.057 | 0.763 |
| Rpim | 0.039 | 0.548 |
| Number of reflections | 19810 | 984 |
| <I/σ(I)> | 15.4 | 2 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 5.6 | 5.3 |
| CC(1/2) | 0.999 | 0.694 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M Na acetate, 0.2M lithium sulfate, 0.1M hepes7.5, 25% (w/v) PEG3350 |
