5J3R

Crystal structure of yeast monothiol glutaredoxin Grx6 in complex with a glutathione-coordinated [2Fe-2S] cluster

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.980
Spacegroup name	P 43 21 2
Unit cell lengths	58.657, 58.657, 161.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.960 - 2.460
R-factor	0.19799
Rwork	0.196
R-free	0.23005
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l4n
RMSD bond length	0.009
RMSD bond angle	1.368
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.450	2.450
Number of reflections	10929
<I/σ(I)>	23.5
Completeness [%]	99.4
Redundancy	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287.15	0.1 M HEPES sodium, 0.8 M potassium sodium tartrate tetrahydrate