6XKG

Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with 6S sulfation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-05
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.514
Spacegroup name	C 1 2 1
Unit cell lengths	133.760, 65.012, 92.235
Unit cell angles	90.00, 124.73, 90.00

Refinement procedure

Resolution	32.860 - 1.550
R-factor	0.1642
Rwork	0.164
R-free	0.18260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t8u
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.045	0.426
Rmeas	0.053	0.583
Rpim	0.027	0.396
Number of reflections	91530	4216
<I/σ(I)>	18.2	1.98
Completeness [%]	97.0	90.2
Redundancy	2.5
CC(1/2)		0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Protein: 15.5mg/ml 3ost3a, 4mM PAP, 5mM 8mer Nac/NS2S6S, 25mM Tris pH 7.5, 125mM NaCl, Reservoir: 0.1M Bicine and 10% MPD