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.