8BHZ

The apo-crystal structure of a variant form of the 28-kDa Schistosoma haematobium glutathione transferase in orthorhombic form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS 3.0 MICROFOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-25
Detector	Bruker PHOTON III
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	73.796, 77.570, 77.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.400 - 2.400
R-factor	0.1988
Rwork	0.196
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8als
RMSD bond length	0.001
RMSD bond angle	0.428
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.400	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.093	0.329
Rmeas	0.125
Rpim	0.084	0.313
Number of reflections	8867	859
<I/σ(I)>	8.6	2.7
Completeness [%]	99.2	93.8
Redundancy	3.8	3.2
CC(1/2)	0.979	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	15 mg/ml of Sh28GST in 100mM Tris-HCL at 7.5 pH with the crystallization condition consisting of 2.1 M ammonium sulfate, 100 mM Tris (pH 7.2), and 5 mM B-mercaptoethanol