7AJ0

Crystal structure of PsFucS1 sulfatase from Pseudoalteromonas sp.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	86.198, 182.337, 209.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.660 - 2.500
R-factor	0.1735
Rwork	0.172
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fdj
RMSD bond length	0.003
RMSD bond angle	0.595
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.340	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.375	1.985
Rmeas	0.390	2.061
Rpim	0.105	0.551
Number of reflections	115081	78787
<I/σ(I)>	8.5
Completeness [%]	100.0	100
Redundancy	13.6	14
CC(1/2)	0.991	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium acetate pH 4.6 0.1 M sodium chloride 20% (w/v) PEG 3350