5UIA
Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate 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 | 2016-10-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.411, 113.926, 65.719 |
| Unit cell angles | 90.00, 95.10, 90.00 |
Refinement procedure
| Resolution | 29.490 - 2.180 |
| R-factor | 0.18515 |
| Rwork | 0.184 |
| R-free | 0.20939 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uhw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.233 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.29) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.490 | 2.300 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.103 | 1.037 |
| Rmeas | 0.143 | 1.444 |
| Rpim | 0.099 | 1.002 |
| Number of reflections | 49821 | 6897 |
| <I/σ(I)> | 8.2 | 2 |
| Completeness [%] | 94.3 | 89.4 |
| Redundancy | 3.7 | 3.4 |
| CC(1/2) | 0.990 | 0.339 |
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 |
