9VI2
Crystal structure of fused glycerol dehydratase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 152.040, 153.290, 377.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.760 - 2.910 |
| R-factor | 0.2406 |
| Rwork | 0.238 |
| R-free | 0.29140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.156 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.910 | 3.014 |
| High resolution limit [Å] | 2.910 | 2.910 |
| Number of reflections | 96016 | 9559 |
| <I/σ(I)> | 11.25 | |
| Completeness [%] | 99.3 | |
| Redundancy | 12.8 | |
| CC(1/2) | 0.990 | 0.845 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100mM HEPES, 20% (w/v) PEG 8000, 200mM ammonium sulfate, 10% (v/v) 2-propanol |
