6YQ0
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 | I 1 2 1 |
| Unit cell lengths | 88.104, 60.379, 88.221 |
| Unit cell angles | 90.00, 102.42, 90.00 |
Refinement procedure
| Resolution | 49.495 - 1.080 |
| Rwork | 0.155 |
| R-free | 0.17010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4osp |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.206 |
| 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] | 49.495 | 1.108 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.049 | 0.435 |
| Rmeas | 0.532 | |
| Number of reflections | 431114 | 68021 |
| <I/σ(I)> | 16.3 | 3.2 |
| Completeness [%] | 95.4 | 99 |
| Redundancy | 3.1 | 2.9 |
| CC(1/2) | 0.999 | 0.801 |
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 |
