6B4O
1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase from Enterococcus faecalis 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 | 2017-08-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.686, 152.613, 98.531 |
Unit cell angles | 90.00, 94.97, 90.00 |
Refinement procedure
Resolution | 29.980 - 1.730 |
R-factor | 0.164 |
Rwork | 0.162 |
R-free | 0.19478 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5v36 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.447 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.059 | 0.722 |
Rpim | 0.032 | 0.400 |
Number of reflections | 188943 | 9415 |
<I/σ(I)> | 22.1 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.3 | 4.2 |
CC(1/2) | 0.739 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | Protein: 12.7 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3), 1mM FAD, 1mM NADH; Screen: JCSG+ (H11), 0.2M Magnesium chloride, 0.1M Bis-Tris (pH 5.5), 25% (w/v) PEG 3350 |