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 |