3AI1
The crystal structure of L-sorbose reductase from Gluconobacter frateurii complexed with NADPH and L-sorbose reveals the structure bases of its catalytic mechanism and high substrate selectivity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 124.186, 124.124, 60.848 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.280 - 2.380 |
| R-factor | 0.21032 |
| Rwork | 0.208 |
| R-free | 0.26077 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ew8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.044 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.470 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.094 | 0.338 |
| Number of reflections | 19391 | |
| <I/σ(I)> | 34 | 5.1 |
| Completeness [%] | 99.9 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 32% (w/v) PEG 2000, 100mM sodium acetate trihydrate pH 5.0 , VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
