3O9Z
Crystal structure of the WlbA (WbpB) dehydrogenase from Thermus thermophilus in complex with NAD and alpha-ketoglutarate at 1.45 angstrom resolution
Experimental procedure
| Experimental method | MAD |
| 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 |
| Wavelength(s) | 0.97918,0.97953,0.97150 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.781, 68.199, 164.053 |
| Unit cell angles | 90.00, 94.66, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.449 |
| R-factor | 0.1953 |
| Rwork | 0.194 |
| R-free | 0.22649 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.348 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.449 | 1.449 |
| Rmerge | 0.061 | 0.167 |
| Number of reflections | 270515 | |
| <I/σ(I)> | 44.4 | 4.2 |
| Completeness [%] | 96.8 | 88.7 |
| Redundancy | 3.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 15-20% PEG-5000, 100 mM MOPS, 20 mM alpha-ketoglutarate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
