6A3G
Levoglucosan dehydrogenase, complex with NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.742, 93.787, 100.989 |
| Unit cell angles | 90.00, 100.97, 90.00 |
Refinement procedure
| Resolution | 36.530 - 1.900 |
| R-factor | 0.17046 |
| Rwork | 0.169 |
| R-free | 0.20448 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h3v |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.423 |
| 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 | 0.104 | 0.777 |
| Number of reflections | 114689 | 5628 |
| <I/σ(I)> | 11.4 | 1.4 |
| Completeness [%] | 98.7 | 97.2 |
| Redundancy | 3.6 | 3.3 |
| CC(1/2) | 0.903 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | MES-NaOH, PEG 3000, PEG 200, NADH |
