6YQ3
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 | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2019-07-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 87.969, 60.214, 88.308 |
Unit cell angles | 90.00, 102.46, 90.00 |
Refinement procedure
Resolution | 24.696 - 1.570 |
Rwork | 0.142 |
R-free | 0.16630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4osp |
RMSD bond length | 0.017 |
RMSD bond angle | 2.114 |
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] | 24.700 | 1.610 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.053 | 0.464 |
Rmeas | 0.064 | 0.566 |
Number of reflections | 60525 | 6124 |
<I/σ(I)> | 22.5 | 2.7 |
Completeness [%] | 98.1 | |
Redundancy | 2.9 | 2.8 |
CC(1/2) | 0.999 | 0.818 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 3350, 0.1 M Na Malonate, 0.1 M BIS-TRIS prop, pH 6.5 |