9HH2

Crystal structure of the family S1_19 carrageenan sulfatase ZgCgsA from Zobellia galactanivorans in complex with hybrid a-i-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 21 21 21
Unit cell lengths	95.630, 96.190, 106.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.630 - 1.580
R-factor	0.1533
Rwork	0.152
R-free	0.17680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.838
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]	43.630	1.636
High resolution limit [Å]	1.580	1.580
Number of reflections	134822	13332
<I/σ(I)>	21.07
Completeness [%]	100.0
Redundancy	15
CC(1/2)	1.000	0.693

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, 8% PEG 3350