Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-09-27 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 38.880, 77.368, 81.887 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.350 - 1.700 |
R-factor | 0.1824 |
Rwork | 0.180 |
R-free | 0.22330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.890 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.350 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.062 | 1.204 |
Rmeas | 0.065 | 1.298 |
Rpim | 0.019 | 0.481 |
Number of reflections | 27950 | 1450 |
<I/σ(I)> | 19.8 | 1.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.3 | 7.1 |
CC(1/2) | 1.000 | 0.736 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 294.15 | 0.03 M Magnesium Chloride Hexahydrate, 0.1 M Tris HCl pH 7.4, 30% PEG 4000 |