Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2024-02-21 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.87313 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 34.503, 96.650, 109.578 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.330 - 1.720 |
Rwork | 0.199 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.538 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.330 | 1.782 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmeas | 0.034 | 0.696 |
Number of reflections | 19263 | 1914 |
<I/σ(I)> | 12.65 | 1.31 |
Completeness [%] | 96.5 | 98.71 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 0.999 | 0.645 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 2% tacsimate, pH 5.0, 0.1 M sodium citrate, 16% PEG 3350 |