5U1O
2.3 Angstrom Resolution Crystal Structure of Glutathione Reductase from Vibrio parahaemolyticus in Complex with FAD.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.528, 174.289, 206.094 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.950 - 2.310 |
R-factor | 0.20436 |
Rwork | 0.202 |
R-free | 0.24854 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ges |
RMSD bond length | 0.009 |
RMSD bond angle | 1.417 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.104 | 0.627 |
Number of reflections | 86905 | |
<I/σ(I)> | 14.6 | 2.9 |
Completeness [%] | 92.7 | 93.4 |
Redundancy | 6.5 | 6.8 |
CC(1/2) | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | Protein: 16.3 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3), 1mM FAD, Screen: PACT (C10), 0.2M Magnesium chloride, 0.1M HEPES (pH 7.0), 20% (w/v) PEG 6000 |