8Y9P

Crystal structure of bacterial activating sulfotransferase SgdX2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 65
Unit cell lengths	86.760, 86.760, 63.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.610 - 1.640
R-factor	0.166
Rwork	0.165
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.311
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.610	1.730
High resolution limit [Å]	1.640	1.640
Rmeas	0.060	0.803
Number of reflections	33523	5400
<I/σ(I)>	28.62	4.06
Completeness [%]	100.0
Redundancy	14.3
CC(1/2)	0.999	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium chloride, 0.1 M Bis-Tris, pH 5.5, 25% (w/v) PEG 3350