9LWM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	P 21 21 21
Unit cell lengths	85.440, 88.160, 185.516
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.626 - 2.026
Rwork	0.201
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.555
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]	50.626	2.150
High resolution limit [Å]	2.020	2.030
Number of reflections	91695	14577
<I/σ(I)>	14.3
Completeness [%]	99.9
Redundancy	12.9
CC(1/2)	0.999	0.472

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