6A3I
Levoglucosan dehydrogenase, complex with NADH and levoglucosan
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 | 2016-11-05 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.725, 92.354, 100.563 |
| Unit cell angles | 90.00, 104.48, 90.00 |
Refinement procedure
| Resolution | 34.840 - 2.410 |
| R-factor | 0.21861 |
| Rwork | 0.215 |
| R-free | 0.29705 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h3v |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.248 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.083 | 0.520 |
| Number of reflections | 51934 | 2590 |
| <I/σ(I)> | 16.1 | 2.4 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.959 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | MES-NaOH, PEG 3000, PEG 200, NADH, levoglucosan |
