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. |