6ZW9
[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz) soaked with 4-thiouracil (S-SAD data)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.90745 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.165, 85.519, 39.576 |
| Unit cell angles | 90.00, 94.01, 90.00 |
Refinement procedure
| Resolution | 24.120 - 1.759 |
| R-factor | 0.1689 |
| Rwork | 0.168 |
| R-free | 0.18850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6z92 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS (Mar 15,2019 (BUILT 20190806)) |
| Data scaling software | STARANISO (2.2.19) |
| Phasing software | BUSTER (2.10.3) |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.760 | 1.840 |
| High resolution limit [Å] | 1.759 | 1.760 |
| Rmerge | 0.081 | 0.253 |
| Rmeas | 0.086 | 0.283 |
| Number of reflections | 39587 | 1978 |
| <I/σ(I)> | 18.9 | |
| Completeness [%] | 91.2 | 40.4 |
| Redundancy | 9.6 | 4.6 |
| CC(1/2) | 0.997 | 0.955 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 5.5 | 293 | Anaeroby, 10 mM MgCl2, 0.1 M MES, pH 5.5, 7-9% PEG 6000 |
