8Z77
The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH), activated by crystals soaking with 1 mM CuCl2 and Na ascorbate during 12 hours
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-26 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 98.087, 101.987, 276.799 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.710 - 2.000 |
| R-factor | 0.1769 |
| Rwork | 0.175 |
| R-free | 0.22198 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8q9x |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.318 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.710 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.149 | 0.559 |
| Rmeas | 0.156 | 0.589 |
| Rpim | 0.043 | 0.179 |
| Total number of observations | 1212793 | 45717 |
| Number of reflections | 93349 | 4421 |
| <I/σ(I)> | 14.2 | 4.3 |
| Completeness [%] | 99.6 | |
| Redundancy | 13 | 10.3 |
| CC(1/2) | 0.997 | 0.827 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 0.1 M HEPES, pH 7.5, 20% PEG 8000, 8% Ethylene glycol |
