Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-08-24 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 47.210, 47.210, 143.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.706 - 2.051 |
Rwork | 0.216 |
R-free | 0.25330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.331 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.706 | 2.125 |
High resolution limit [Å] | 2.051 | 2.051 |
Rmeas | 0.101 | 0.659 |
Number of reflections | 10757 | 999 |
<I/σ(I)> | 9.68 | 1.38 |
Completeness [%] | 99.5 | 96.52 |
Redundancy | 2 | 2 |
CC(1/2) | 0.996 | 0.648 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.15M Ammonium sulfate, 0.1M Sodium Hepes pH 7.0, 20%w/v PEG 4000 |