6YQ6
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2018-11-22 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 185.994, 185.994, 75.638 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.471 - 2.080 |
Rwork | 0.168 |
R-free | 0.20350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4osp |
RMSD bond length | 0.015 |
RMSD bond angle | 1.830 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.471 | 2.130 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmerge | 0.399 | 2.839 |
Rmeas | 0.409 | 2.912 |
Number of reflections | 87905 | 14133 |
<I/σ(I)> | 12.5 | 1.7 |
Completeness [%] | 99.8 | 99 |
Redundancy | 20.9 | |
CC(1/2) | 0.994 | 0.431 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.3 M NaCl, 0.1 M Na Cacodylate, pH 6.5, 1.5 M (NH4)2SO4 |