5G5E

Crystallographic structure of the Tau class glutathione S-transferase MiGSTU from mango Mangifera indica L.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	CMOS
Collection date	2015-05-12
Detector	BRUKER
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	88.162, 49.414, 53.348
Unit cell angles	90.00, 103.17, 90.00

Refinement procedure

Resolution	22.312 - 1.800
R-factor	0.1626
Rwork	0.161
R-free	0.18980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HOMOLOGY MODEL BASED ON THE STRUCTURE OF WHEAT TAU CLASS GLUTATHIONE S-TRANSFERASE. PDB ENTRY 1GWC.
RMSD bond length	0.009
RMSD bond angle	1.230
Data reduction software	PROTEUM2
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.300	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.330	0.460
Number of reflections	20863
<I/σ(I)>	28	16.8
Completeness [%]	99.9	100
Redundancy	19.4	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		0.2 M AMMONIUM ACETATE, 0.1 M BIS-TRIS PH 6.0, 25%(W/V) POLYETHYLENE GLYCOL 3350