6A3J
Levoglucosan dehydrogenase, complex with NADH and L-sorbose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-15 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.186, 93.448, 100.882 |
| Unit cell angles | 90.00, 101.42, 90.00 |
Refinement procedure
| Resolution | 49.490 - 1.900 |
| R-factor | 0.16842 |
| Rwork | 0.166 |
| R-free | 0.20684 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h3v |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.433 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.103 | 0.720 |
| Number of reflections | 114792 | 5696 |
| <I/σ(I)> | 13.8 | 1.7 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 3.8 | 3.7 |
| CC(1/2) | 0.936 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | MES-NaOH, PEG3000, PEG 200, NADH, L-sorbose |
