3AI2
The crystal structure of L-sorbose reductase from Gluconobacter frateurii complexed with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Detector technology | CCD |
| Collection date | 2008-06-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 124.290, 60.980, 124.450 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 19.670 - 1.900 |
| R-factor | 0.175 |
| Rwork | 0.172 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ai1 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.746 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.383 |
| Number of reflections | 146936 | |
| <I/σ(I)> | 11.1 | 3.4 |
| Completeness [%] | 99.7 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 5MM NADPH, 34% (W/V) PEG 400, 200MM CALCIUM ACETATE, 100MM SODIUM ACETATE TRIHYDRATE PH 4.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K, temperature 293.0K |
