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 |
