2WSB
Crystal structure of the short-chain dehydrogenase Galactitol- Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.790, 106.620, 109.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.250 |
| R-factor | 0.13609 |
| Rwork | 0.134 |
| R-free | 0.17749 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SWISS PROT MODEL |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.581 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.940 | 1.280 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.100 | 0.560 |
| Number of reflections | 313700 | |
| <I/σ(I)> | 8.4 | 2 |
| Completeness [%] | 98.6 | 92.9 |
| Redundancy | 6.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 4% N-PROPANOLE, 100MM SODIUM CACODYLATE, PH 6.5, 200MM SODIUM ACETATE, 30% PEG 8000 |
