6HTA
Crystal structure of glutathione transferase Xi 3 mutant C56S from Trametes versicolor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.99187 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.903, 56.653, 93.793 |
| Unit cell angles | 90.00, 107.17, 90.00 |
Refinement procedure
| Resolution | 47.637 - 1.850 |
| R-factor | 0.1842 |
| Rwork | 0.182 |
| R-free | 0.22620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gca |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.640 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.117 | 0.383 |
| Rmeas | 0.144 | 0.470 |
| Rpim | 0.083 | 0.268 |
| Number of reflections | 58873 | |
| <I/σ(I)> | 7.7 | 1.6 |
| Completeness [%] | 94.8 | 97.3 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 277 | 20% (w/v) polyethylene glycol 8,000, 0.1M pH 6.5 sodium cacodylate buffer and 0.2M magnesium acetate |
