6N7F
1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase from Streptococcus pyogenes in Complex with FAD.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 |
| Unit cell lengths | 76.400, 86.650, 86.670 |
| Unit cell angles | 67.13, 74.15, 74.11 |
Refinement procedure
| Resolution | 29.470 - 1.900 |
| R-factor | 0.171 |
| Rwork | 0.169 |
| R-free | 0.21042 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5v36 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.410 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.069 | 0.517 |
| Rmeas | 0.091 | 0.681 |
| Rpim | 0.058 | 0.439 |
| Number of reflections | 148744 | 7256 |
| <I/σ(I)> | 12 | 1.7 |
| Completeness [%] | 97.7 | 94.9 |
| Redundancy | 2.3 | 2.3 |
| CC(1/2) | 0.657 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | Protein: 9.8 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3, 1mM FAD; Screen: Classics II (F10), 0.2M Sodium chloride, 0.1M Bis-Tris pH=5.5, 25% (w/v) PEG 3350. |
