9WWF

Crystal structure of human tyrosylprotein sulfotransferase 2 (TPST2) in Mn2+-bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2025-04-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 43 2 2
Unit cell lengths	102.817, 102.817, 103.115
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.090 - 2.000
R-factor	0.1853
Rwork	0.183
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.902
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.090	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.176	0.840
Number of reflections	38050	2761
<I/σ(I)>	24.4	10.8
Completeness [%]	100.0	99.3
Redundancy	25	25.1
CC(1/2)	0.999	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	0.1M HEPES-NaOH (pH7.0), 14.2% (w/v) PEG 6000, 0.1M Potassium sodium tartrate, 1mM ZnCl2, 20mM MnCl2