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 |