3W8S

Crystal structure of monomeric Na-GST-3, a glutathione s-transferase from the major human hookworm parasite Necator americanus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	103.15
Detector technology	IMAGE PLATE
Collection date	2013-03-16
Detector	RIGAKU RAXIS HTC
Spacegroup name	P 43 21 2
Unit cell lengths	67.120, 67.120, 134.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.650 - 2.070
R-factor	0.1743
Rwork	0.172
R-free	0.22014
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2on7
RMSD bond length	0.022
RMSD bond angle	2.006
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.740	2.240
High resolution limit [Å]	2.070	2.070
Rmerge	0.143	0.470
Number of reflections	19536
<I/σ(I)>	17.8	0.3
Completeness [%]	100.0	100
Redundancy	13.1	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	298	0.08M sodium acetate trihydrate pH 4.6, 20% (w/v) PEG 4000, 0.16M ammonium sulfate, 20% (v/v) glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K