8I1N

Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP

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	2021-01-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9875
Spacegroup name	P 1 21 1
Unit cell lengths	75.594, 71.329, 89.986
Unit cell angles	90.00, 114.82, 90.00

Refinement procedure

Resolution	44.190 - 2.800
R-factor	0.2116
Rwork	0.208
R-free	0.28260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ofx
RMSD bond length	0.011
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.974	0.098	0.854
Total number of observations	132290
Number of reflections	21315	2207	2014
<I/σ(I)>	3.8
Completeness [%]	99.0	99.6	96.1
Redundancy	6.2	6.5	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Ammonium citrate dihydrate, pH7.0 and 20% w/v PEG3350