22FG

Crystal structure of the oxidized state of TRP14 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 2
Unit cell lengths	52.631, 54.833, 37.751
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.970 - 1.692
Rwork	0.202
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.729
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]	37.970	1.730
High resolution limit [Å]	1.690	1.690
Number of reflections	12749	914
<I/σ(I)>	15.3
Completeness [%]	100.0
Redundancy	11.5
CC(1/2)	0.999	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.2 M lithium sulfate monohydrate, 0.1 M HEPES (pH 5.5), and 25% polyethylene glycol 3350