9BB9

Structure of S1_8A, a lambda-carrageenan specific sulfatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.514
Spacegroup name	P 1
Unit cell lengths	50.033, 56.338, 97.200
Unit cell angles	77.43, 76.36, 63.91

Refinement procedure

Resolution	29.284 - 1.839
R-factor	0.1593
Rwork	0.158
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.124
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.880
High resolution limit [Å]	1.839	1.839
Rmerge	0.104	0.396
Rpim	0.046	0.260
Number of reflections	78931	4617
<I/σ(I)>	14.2	3
Completeness [%]	99.5
Redundancy	5
CC(1/2)	0.995	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	27% PEG 3350, 5% glycerol, 5% Jeffamine ED-2001 (pH 7.0), 0.1 M arginine, 0.1 M HEPES (pH 7.5)