Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-11-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 65.670, 65.670, 263.730 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.060 - 2.560 |
R-factor | 0.2203 |
Rwork | 0.216 |
R-free | 0.25940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.508 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.600 | 2.650 |
High resolution limit [Å] | 2.560 | 2.560 |
Number of reflections | 11733 | 1123 |
<I/σ(I)> | 3.1 | |
Completeness [%] | 99.6 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Li2SO4 1.8M |