9VIA
Crystal structure of fused glycerol dehydratase M158W variant
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 | 153.550, 155.570, 381.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.990 - 3.680 |
| R-factor | 0.2131 |
| Rwork | 0.210 |
| R-free | 0.26520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.010 |
| 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] | 29.990 | 3.811 |
| High resolution limit [Å] | 3.680 | 3.680 |
| Rmerge | 0.567 | 3.267 |
| Number of reflections | 45965 | 46668 |
| <I/σ(I)> | 7.05 | |
| Completeness [%] | 91.9 | |
| Redundancy | 12.3 | |
| CC(1/2) | 0.960 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100mM HEPES, 20% (w/v) PEG 8000, 200mM ammonium sulfate, 10% (v/v) 2-propanol |
