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6B4O

1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase from Enterococcus faecalis in Complex with FAD

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-F
Synchrotron siteAPS
Beamline21-ID-F
Temperature [K]100
Detector technologyCCD
Collection date2017-08-19
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97872
Spacegroup nameP 1 21 1
Unit cell lengths61.686, 152.613, 98.531
Unit cell angles90.00, 94.97, 90.00
Refinement procedure
Resolution29.980 - 1.730
R-factor0.164
Rwork0.162
R-free0.19478
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5v36
RMSD bond length0.008
RMSD bond angle1.447
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareMoRDa
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.760
High resolution limit [Å]1.7301.730
Rmerge0.0590.722
Rpim0.0320.400
Number of reflections1889439415
<I/σ(I)>22.12
Completeness [%]100.0100
Redundancy4.34.2
CC(1/2)0.739
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.5295Protein: 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

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