6Z93
[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-05 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98011 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 134.381, 85.812, 39.512 |
Unit cell angles | 90.00, 93.92, 90.00 |
Refinement procedure
Resolution | 29.030 - 1.505 |
R-factor | 0.1692 |
Rwork | 0.168 |
R-free | 0.19370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6z92 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
Data reduction software | XDS (Jan 31, 2020 (BUILT 20200131)) |
Data scaling software | STARANISO (2.3.20) |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.270 | 1.700 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.093 | 1.147 |
Rmeas | 0.100 | 1.239 |
Number of reflections | 42459 | 2123 |
<I/σ(I)> | 6.8 | 1.7 |
Completeness [%] | 89.5 | 56.9 |
Redundancy | 6.8 | 7 |
CC(1/2) | 0.998 | 0.488 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 10 mM MgCl2, 0.1 M MES, pH 5.5, 7-9% PEG 6000 |