9WWE

Crystal structure of human tyrosylprotein sulfotransferase 2 (TPST2) in cation-bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	80
Detector technology	PIXEL
Collection date	2025-04-02
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0000
Spacegroup name	P 43 2 2
Unit cell lengths	102.254, 102.254, 103.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.210 - 1.750
R-factor	0.1715
Rwork	0.171
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.210	1.790
High resolution limit [Å]	1.750	1.750
Rmerge	0.144	1.235
Number of reflections	55466	2964
<I/σ(I)>	18.7	3.5
Completeness [%]	100.0	99.2
Redundancy	26.8	26.3
CC(1/2)	0.999	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	0.1M HEPES-NaOH (pH 7.0), 16% (w/v) PEG 6000, 0.1M Potassium sodium tartrate, 20mM ZnCl2