5VDN

1.55 Angstrom Resolution Crystal Structure of Glutathione Reductase from Yersinia pestis 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	2017-03-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 64
Unit cell lengths	125.844, 125.844, 124.557
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.940 - 1.550
R-factor	0.14567
Rwork	0.145
R-free	0.16456
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ges
RMSD bond length	0.009
RMSD bond angle	1.508
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.060	0.721
Rpim	0.025	0.319
Number of reflections	161196	8068
<I/σ(I)>	25.3	2.3
Completeness [%]	100.0	100
Redundancy	6.3	6
CC(1/2)		0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	295	Protein: 10.0 mg/ml, 0.01M Tris HCl (pH 8.3); Screen: Classics II (B6), 0.49M Sodium phosphate, 0.91M Potassium phosphate; Cryo: Screen : 50% Sucrose (1:1)