Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2025-01-06 |
Detector | RIGAKU HyPix-3000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.348, 79.685, 162.299 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.467 - 2.200 |
R-factor | 0.227479941172 |
Rwork | 0.224 |
R-free | 0.29345 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wqa |
RMSD bond length | 0.008 |
RMSD bond angle | 0.949 |
Data reduction software | CrysalisPro (171.39.46) |
Refinement software | REFMAC (V8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.470 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.149 | 0.368 |
Number of reflections | 37773 | 3820 |
<I/σ(I)> | 13.9 | 3 |
Completeness [%] | 97.9 | 100 |
Redundancy | 4.3 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M HEPES (pH 7.4), 0.1 M MgCl2, 12-15% PEG3350, 10% isopropanol, and 25% ethylene glycol |