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 |