7XTU
The structure of TfCut S130A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-14 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 91.414, 91.414, 247.696 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.580 - 2.430 |
| R-factor | 0.1773 |
| Rwork | 0.175 |
| R-free | 0.22550 |
| 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] | 39.990 | 2.470 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.095 | 0.513 |
| Number of reflections | 86890 | 2221 |
| <I/σ(I)> | 10.24 | 2.06 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 9.42 | 4.47 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4 | 298 | 4% v/v PEG200; 0.8 M lithium sulfate; 0.1 M sodium acetate pH4.0 |
