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 |