22FK

Crystal structure of the reduced state of Trx1 from Schistosoma japonicum

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)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	39.916, 90.859, 151.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.430 - 1.898
Rwork	0.221
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.568
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	2.010
High resolution limit [Å]	1.890	1.900
Number of reflections	43078	6933
<I/σ(I)>	11.91
Completeness [%]	96.7
Redundancy	9.6
CC(1/2)	0.999	0.472

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	5mM DTT, 4% Tassimate (pH 6.5-8.0) and 15-20% PEG 3350