9DDL

Glutathione transferase sigma class from Taenia solium 1.3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X17B1
Synchrotron site	NSLS
Beamline	X17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	C 2 2 21
Unit cell lengths	57.020, 111.300, 65.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.100 - 1.300
R-factor	0.1902
Rwork	0.189
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.946
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.100	1.340
High resolution limit [Å]	1.300	1.300
Rmerge	0.053	0.910
Rmeas	0.055	0.950
Rpim	0.014	0.260
Number of reflections	50886	4964
<I/σ(I)>	20.96	2.64
Completeness [%]	99.0	97.85
Redundancy	13.1	13.1
CC(1/2)	1.000	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	291.15	Tris 50 mM Sodium citrate 100 mM