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 |