5UIB
Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, L-tartaric acid and Magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.622, 113.109, 65.820 |
| Unit cell angles | 90.00, 94.61, 90.00 |
Refinement procedure
| Resolution | 26.600 - 2.650 |
| R-factor | 0.20594 |
| Rwork | 0.204 |
| R-free | 0.23881 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uhw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.268 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.21) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.600 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.099 | 0.827 |
| Rmeas | 0.137 | 1.134 |
| Rpim | 0.094 | 0.772 |
| Number of reflections | 29362 | 4299 |
| <I/σ(I)> | 5.5 | 1.1 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.994 | 0.538 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 3.5 M Sodium formate, 5 mM NAD+, 5 mM magnesium chloride |
