9BAS

Structure of S1_15A, 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 1 21 1
Unit cell lengths	71.866, 110.007, 71.791
Unit cell angles	90.00, 106.25, 90.00

Refinement procedure

Resolution	29.541 - 1.791
R-factor	0.1907
Rwork	0.187
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.177
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.790	1.790
Rmerge	0.070	0.368
Rpim	0.032	0.198
Number of reflections	99922	3713
<I/σ(I)>	19.1
Completeness [%]	99.8
Redundancy	3.8
CC(1/2)	0.996	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	23.5% PEG 3350, 5% glycerol, 3% ethylene glycol, 0.2 M ammonium citrate dibasic (pH 5.0)