1ZEM
Crystal Structure of NAD+-Bound Xylitol Dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.953695 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.959, 64.717, 168.239 |
| Unit cell angles | 90.00, 93.06, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.17 |
| Rwork | 0.167 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1IY8 (Levodione Reductase) |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.934 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.064 | 0.222 |
| Number of reflections | 137448 | |
| <I/σ(I)> | 12.6 | 6.16 |
| Completeness [%] | 92.1 | 84 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 4000, MgCl2, Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
