7FH3

Crystal structure of the ATP sulfurylase domain of human PAPSS2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	H 3
Unit cell lengths	179.859, 179.859, 79.289
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.270 - 1.800
R-factor	0.1703
Rwork	0.169
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x6v
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	86380	8727
<I/σ(I)>	11.4
Completeness [%]	98.1
Redundancy	9.1
CC(1/2)	0.979	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	200mM (NH4)2SO4, 0.1M HEPES, pH7.5, 25% PEG 3350