3AI3
The crystal structure of L-Sorbose reductase from Gluconobacter frateurii complexed with NADPH and L-sorbose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Detector technology | CCD |
Collection date | 2009-10-30 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.040, 124.410, 124.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.690 - 1.800 |
R-factor | 0.21416 |
Rwork | 0.212 |
R-free | 0.24941 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ai2 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.476 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.083 | 0.465 |
Number of reflections | 88419 | |
<I/σ(I)> | 21.3 | 5.6 |
Completeness [%] | 99.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | Crystals of the His116Leu mutant of SR containing 10 mM NADPH and 100 mM L-sorbose were obtained under a reservoir solution condition of 30% (w/v) PEG400, 200 mM calcium chloride and 100 mM sodium acetate trihydrate, pH 4.5. The crystals of SR complexed with NADPH and L-sorbose were prepared by soaking the crystals in the reservoir solution supplemented with 2 M L-sorbose and 10 mM NADPH for 12 h at 293 K., VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |