9BAU

Structure of S1_15B, a lambda-carrageenan specific sulfatase, in complex with galactose-6-sulfate

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)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	66.744, 93.847, 176.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.615 - 2.301
R-factor	0.1902
Rwork	0.188
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.091	0.385
Rpim	0.047	0.254
Number of reflections	49811	2410
<I/σ(I)>	13.6
Completeness [%]	99.7
Redundancy	4.5
CC(1/2)	0.995	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	2.2 M ammonium sulfate, 2% glycerol, 0.1 M arginine, 0.1 M Tris:HCl (pH 8.5)