6SGN
Crystal structure of monooxygenase RutA complexed with 2,4-dimethoxypyrimidine.
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 | 2019-06-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 87.136, 87.136, 95.541 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.606 - 2.501 |
Rwork | 0.201 |
R-free | 0.26310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wan |
RMSD bond length | 0.007 |
RMSD bond angle | 1.531 |
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] | 47.770 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 14850 | 2101 |
<I/σ(I)> | 11.2 | |
Completeness [%] | 99.5 | |
Redundancy | 5 | |
CC(1/2) | 0.998 | 0.615 |
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 2,4-Dimethoxypyrimidine |