9C0A

Sigma class glutathione transferase from Taenia solium 1.75 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	80
Detector technology	CCD
Collection date	2023-09-22
Detector	MAR CCD 130 mm
Wavelength(s)	1.54178
Spacegroup name	C 2 2 21
Unit cell lengths	56.675, 110.113, 65.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.730 - 1.750
R-factor	0.191
Rwork	0.189
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.730	32.730
High resolution limit [Å]	1.750	1.750
Rmerge	0.031	0.355
Rmeas	0.043	0.502
Rpim	0.031	0.355
Number of reflections	21048	2049
<I/σ(I)>	32.06	2.75
Completeness [%]	99.5	98.51
Redundancy	1.9
CC(1/2)	0.999	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.8	291	Sodium cirtate 1M