4KX4

Crystal structure of Escherichia coli glutaredoxin 2 complex with glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	50.100, 50.100, 152.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.469 - 1.600
R-factor	0.165
Rwork	0.164
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.235
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.470	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.060	0.100
Number of reflections	28685
<I/σ(I)>	20.6	4.7
Completeness [%]	94.8	67

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	277	4 mM glutathione, 20 mM sodium arsenate, 100 mM sodium citrate, 200 mM ammonium acetate and 30 % PEG 4000, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K