6XTF
Crystal structure a Thioredoxin Reductase from Gloeobacter violaceus bound to its electron donor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91589 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 166.741, 181.312, 80.369 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.370 - 2.230 |
| R-factor | 0.2021 |
| Rwork | 0.201 |
| R-free | 0.23150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j60 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.173 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3689) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.400 | 2.470 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.298 | 1.673 |
| Rmeas | 0.310 | 1.763 |
| Rpim | 0.085 | 0.549 |
| Number of reflections | 40062 | 2004 |
| <I/σ(I)> | 9.3 | 1.6 |
| Completeness [%] | 92.7 | 64.5 |
| Redundancy | 13.1 | 10.2 |
| CC(1/2) | 0.989 | 0.584 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 40% PEG-300 100 mM Sodium cacodylate-HCl, pH 6.5 200 mM Sodium acetate |
