8XJP

Crystal structure of a sulfotransferase S4 in complex with PAP and 2-Phe-br

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.987
Spacegroup name	P 43 21 2
Unit cell lengths	77.716, 77.716, 139.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.810 - 1.700
R-factor	0.2475
Rwork	0.246
R-free	0.27060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.943
Data reduction software	XDS
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	47187	4616
<I/σ(I)>	23.3	2.94
Completeness [%]	98.8
Redundancy	26.2
CC(1/2)	0.998	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	1.6 M (NH4)2SO4, 0.1 M MES pH6.0, 1% dextran sulfate sodium salt 800