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 |