Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-01-26 |
Detector | DECTRIS EIGER2 X CdTe 16M |
Wavelength(s) | 0.885603 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 120.957, 120.957, 155.520 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 104.752 - 2.031 |
Rwork | 0.223 |
R-free | 0.25810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 1.336 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 104.752 | 2.066 |
High resolution limit [Å] | 2.031 | 2.031 |
Number of reflections | 81249 | 3241 |
<I/σ(I)> | 6.5 | |
Completeness [%] | 95.4 | |
Redundancy | 12.6 | |
CC(1/2) | 0.990 | 0.664 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | buffer, salt and precipitant |