3OA0
Crystal structure of the WlbA (WbpB) Dehydrogenase from Thermus thermophilus in complex with NAD and UDP-GlcNAcA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-14 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.097, 68.320, 164.122 |
| Unit cell angles | 90.00, 94.51, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o9z |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.478 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.073 | 0.178 |
| Number of reflections | 98909 | |
| <I/σ(I)> | 62.7 | 17.8 |
| Completeness [%] | 91.9 | 85.5 |
| Redundancy | 9.1 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 298 | 15-20% PEG-5000, 100 mM MOPS, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
