5T05

Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and IdoA2S containing hexasaccharide substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-11
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	75.785, 128.161, 178.711
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.487 - 1.952
R-factor	0.1786
Rwork	0.178
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.278
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.950
Number of reflections	126615
<I/σ(I)>	10.2
Completeness [%]	100.0
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100mM Tris pH 7.5, 200mM disodium tartrate, 18-19% PEG 3350, 1mM PAP, 5mM maltose, 10mM oligosaccharide ligand