5J4U

Crystal structure of a glutathione S-transferase PtGSTU30 from Populus trichocarpa in complex with GSH

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	2015-05-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	83.028, 74.646, 48.935
Unit cell angles	90.00, 121.87, 90.00

Refinement procedure

Resolution	40.850 - 1.249
R-factor	0.1701
Rwork	0.170
R-free	0.18110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4top
RMSD bond length	0.005
RMSD bond angle	1.034
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.850	1.270
High resolution limit [Å]	1.249	1.250
Number of reflections	68741
<I/σ(I)>	45.91
Completeness [%]	98.5
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	291.15	1.8M Ammonium sulfate, 0.1M Sodium citrate tribasic dehydrate, pH 5.2