Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2024-08-24 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 46.950, 46.950, 143.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.970 - 1.790 |
Rwork | 0.192 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.536 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.970 | 1.854 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmeas | 0.039 | 0.352 |
Number of reflections | 15997 | 1549 |
<I/σ(I)> | 18.78 | 2.62 |
Completeness [%] | 99.9 | 99.94 |
Redundancy | 2 | 2 |
CC(1/2) | 1.000 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.5M Ammonium sulfate; 0.1M Bis-Tris propane pH 7.0 |