9LWZ

Crystal structure of the oxidized state of thioredoxin gluthathione reductase from Schistosoma japonicum with the U597C mutation SjTGR-U597C-oxidized

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	295.15
Detector technology	PIXEL
Collection date	2024-05-31
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	83.810, 86.616, 182.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.290 - 2.074
Rwork	0.193
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.698
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]	91.290	2.190
High resolution limit [Å]	2.070	2.070
Number of reflections	81335	11742
<I/σ(I)>	11.4
Completeness [%]	100.0
Redundancy	11.7
CC(1/2)	0.998	0.454

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