8R2W
Crystal structure of hydroxyquinol-1,2-dioxygenase from Trametes versicolor (TvHDX1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-16 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.362, 54.118, 69.486 |
| Unit cell angles | 90.00, 108.39, 90.00 |
Refinement procedure
| Resolution | 84.155 - 1.460 |
| Rwork | 0.172 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.587 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.155 | 1.572 |
| High resolution limit [Å] | 1.459 | 1.459 |
| Rmerge | 0.058 | 1.143 |
| Rpim | 0.024 | 0.468 |
| Number of reflections | 87832 | 4392 |
| <I/σ(I)> | 14.2 | 1.4 |
| Completeness [%] | 94.1 | 55 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.999 | 0.644 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PACT screen from Molecular Dimensions condition F2 (20 % PEG 3350, 0.2 M sodium bromide, 0.1 M Bis-Tris propane pH 6.5) |
