22EY

Crystal structure of thioredoxin gluthathione reductase from Schistosoma japonicum SjTGR-WT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-31
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.919082
Spacegroup name	P 21 21 21
Unit cell lengths	83.615, 86.266, 182.093
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.047 - 2.557
Rwork	0.207
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.656
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.050	2.690
High resolution limit [Å]	2.557	2.557
Number of reflections	43384	6222
<I/σ(I)>	6.6
Completeness [%]	99.9
Redundancy	8.3
CC(1/2)	0.988	0.366

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	4% Tassimate (pH 6.5-8.0) and 15-20% PEG 3350