7XTT
The structure of engineered TfCut S130A in complex with MHET
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-29 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.838, 41.903, 80.868 |
| Unit cell angles | 90.00, 92.11, 90.00 |
Refinement procedure
| Resolution | 32.620 - 1.820 |
| R-factor | 0.138 |
| Rwork | 0.136 |
| R-free | 0.17300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zoa |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.620 | 1.850 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.034 | 0.105 |
| Number of reflections | 75313 | 1821 |
| <I/σ(I)> | 38.62 | 8.95 |
| Completeness [%] | 99.6 | 98.1 |
| Redundancy | 4.4 | 3.21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 298 | 30% W/V PEG8000; 0.2 M Ammonium sulfate; 0.1 M Sodium cacodylate 6.5 |
