4TR1

Crystal structure of GSH-bound cGrx2/C15S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	123.065, 29.371, 64.836
Unit cell angles	90.00, 118.17, 90.00

Refinement procedure

Resolution	32.356 - 1.582
R-factor	0.179
Rwork	0.177
R-free	0.20430
RMSD bond length	0.009
RMSD bond angle	1.449
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.580
Number of reflections	27954
<I/σ(I)>	39.5
Completeness [%]	97.8
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	0.1 M sodium acetate, pH 5.2, 33% PEG 4000 (w/v), and 0.2 M ammonium acetate.