8WM1
DHS dehydratase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-06 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 143.560, 97.670, 132.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.280 - 2.740 |
| R-factor | 0.22514 |
| Rwork | 0.224 |
| R-free | 0.25473 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.328 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.850 | 2.820 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.573 | |
| Number of reflections | 50016 | 4543 |
| <I/σ(I)> | 8 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5 | |
| CC(1/2) | 0.989 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298.15 | potassium thiocyanate, methoxypoly(ethylene glycol) ~2000 |
