6SGM
Crystal structure of monooxygenase RutA complexed with 4-Thiouracil.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 87.567, 87.567, 95.999 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.822 - 2.000 |
| Rwork | 0.203 |
| R-free | 0.24540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wan |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.698 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 29258 | 4194 |
| <I/σ(I)> | 22.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 19.8 | |
| CC(1/2) | 0.990 | 0.953 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 100 mM Bis-Tris pH 6.5, 1900 mM ammonium sulphate, 2-5% MPD (v/v),1 mM FMN, 1 mM 4-Thiouracil |
