9WP1

Structural insights into tyrosine sulfation of CCR5 by human tyrosylprotein sulfotransferase-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2020-09-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	188.914, 189.398, 121.481
Unit cell angles	90.00, 125.98, 90.00

Refinement procedure

Resolution	49.210 - 3.200
R-factor	0.2754
Rwork	0.273
R-free	0.32250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ap1
RMSD bond length	0.004
RMSD bond angle	0.771
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.260
High resolution limit [Å]	3.200	3.200
Number of reflections	56568	5656
<I/σ(I)>	2.73
Completeness [%]	99.9
Redundancy	3.7
CC(1/2)	0.990	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	293	1.8 M sodium/potassium phosphate,