3LQF
Crystal structure of the short-chain dehydrogenase Galactitol-Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD and erythritol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-17 |
| Detector | RAYONIX |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.863, 113.838, 123.234 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.1861 |
| Rwork | 0.184 |
| R-free | 0.22267 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SWISS PROT MODEL |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.389 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.078 | 0.680 |
| Number of reflections | 83822 | |
| <I/σ(I)> | 17.65 | 2.96 |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 7.3 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 291 | 100MM MES, 200MM MAGNESIUMCHLORIDE, 14.0%(W/V)MPEG5000, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
