6TEF
Crystal structure of monooxygenase RutA complexed with dioxygen under 0.5 MPa / 5 bars of oxygen pressure.
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 | 2018-06-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 87.673, 87.673, 96.571 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.875 - 1.800 |
| Rwork | 0.160 |
| R-free | 0.19630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wan |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.810 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.290 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | |
| Number of reflections | 40277 | 5809 |
| <I/σ(I)> | 17.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 9.9 | |
| CC(1/2) | 0.840 |
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 |
