22FJ

Crystal structure of the oxidized state of Trx1 from Schistosoma japonicum

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	2023-05-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	39.535, 90.533, 150.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.375 - 2.660
Rwork	0.221
R-free	0.28450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.539
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]	50.000	2.710
High resolution limit [Å]	2.660	2.660
Number of reflections	15762	720
<I/σ(I)>	7.588
Completeness [%]	95.7
Redundancy	3.8
CC(1/2)	0.970	0.653

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