9HH4

Crystal structure of the family S1_19 carrageenan sulfatase ZgCgsA from Zobellia galactanivorans in complex with hybrid b-k-neocarratetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-07-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	P 1 21 1
Unit cell lengths	74.230, 197.600, 75.020
Unit cell angles	90.00, 99.79, 90.00

Refinement procedure

Resolution	36.570 - 1.920
R-factor	0.1689
Rwork	0.167
R-free	0.20740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.010
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]	36.570	1.990
High resolution limit [Å]	1.920	1.920
Number of reflections	159811	15573
<I/σ(I)>	15.27
Completeness [%]	99.4
Redundancy	8.8
CC(1/2)	0.999	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1 M Bis-tris propane pH 7.5, 0.1 M NaBr, 10% PEG 3350