6TEG
Crystal structure of monooxygenase RutA complexed with uracil and dioxygen under 1.5 MPa / 15 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 | 87.863, 87.863, 96.253 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.970 - 1.800 |
Rwork | 0.169 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wan |
RMSD bond length | 0.012 |
RMSD bond angle | 1.883 |
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] | 48.130 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.040 | 0.350 |
Number of reflections | 40105 | 5678 |
<I/σ(I)> | 23.5 | |
Completeness [%] | 99.5 | |
Redundancy | 6.3 |
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, 1mM Uracil |