Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-11 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 47.010, 47.010, 142.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.630 - 1.900 |
Rwork | 0.205 |
R-free | 0.24750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.483 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.630 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 13433 | 971 |
<I/σ(I)> | 8.52 | |
Completeness [%] | 96.8 | 100 |
Redundancy | 1.2 | |
CC(1/2) | 0.990 | 0.474 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1M Bis-Tris pH 5.5, 2M Ammonium Sulfate |