9FVT

Crystal structure of marine sulfatase (OpSulf1) from Ochrovirga pacifica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033190
Spacegroup name	P 43
Unit cell lengths	115.268, 115.268, 169.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.330 - 1.490
Rwork	0.166
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS (3.1.9)
Data scaling software	Aimless (0.7.13)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.330	1.510
High resolution limit [Å]	1.490	1.490
Rmerge	0.087	1.786
Rmeas	0.090	1.858
Rpim	0.024	0.508
Total number of observations	4949008	233469
Number of reflections	360000	17629
<I/σ(I)>	16.8	1.7
Completeness [%]	99.9
Redundancy	13.7	13.2
CC(1/2)	0.999	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	20 % w/v Polyethylene glycol 3,350 200 mM Potassium chloride 20 % v/v Glycerol