7FHA

Crystal structure of the ATP sulfurylase domain of human PAPSS2 in complex with APS

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	2020-07-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	62.111, 131.105, 135.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.180 - 2.000
R-factor	0.1535
Rwork	0.152
R-free	0.18260
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	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	75483	7394
<I/σ(I)>	20.4
Completeness [%]	99.7
Redundancy	12.6
CC(1/2)	0.973	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	0.1M HEPES, pH7.5, 25% PEG 3350