8Z76
The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH), activated by crystals soaking with 1 mM CuCl2 during 6 months
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17UM |
Synchrotron site | SSRF |
Beamline | BL17UM |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-08 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 97.800, 101.750, 276.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.790 - 1.800 |
R-factor | 0.16994 |
Rwork | 0.168 |
R-free | 0.21728 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8q9x |
RMSD bond length | 0.014 |
RMSD bond angle | 2.261 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 10.000 | 1.800 |
Rmerge | 0.101 | 0.033 | 1.126 |
Rmeas | 0.110 | 0.036 | 1.217 |
Number of reflections | 125833 | 816 | 9819 |
<I/σ(I)> | 12.69 | ||
Completeness [%] | 98.8 | ||
Redundancy | 6.7 | ||
CC(1/2) | 0.998 | 0.998 | 0.679 |
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 |