5U1O

2.3 Angstrom Resolution Crystal Structure of Glutathione Reductase from Vibrio parahaemolyticus 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	2016-11-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	58.528, 174.289, 206.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.950 - 2.310
R-factor	0.20436
Rwork	0.202
R-free	0.24854
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ges
RMSD bond length	0.009
RMSD bond angle	1.417
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.104	0.627
Number of reflections	86905
<I/σ(I)>	14.6	2.9
Completeness [%]	92.7	93.4
Redundancy	6.5	6.8
CC(1/2)		0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	Protein: 16.3 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3), 1mM FAD, Screen: PACT (C10), 0.2M Magnesium chloride, 0.1M HEPES (pH 7.0), 20% (w/v) PEG 6000