9BAV

Structure of S1_15B, a lambda-carrageenan specific sulfatase, in complex with a carrageenoligosaccharide

This is a non-PDB format compatible entry.

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	66.229, 92.870, 176.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.532 - 2.494
R-factor	0.2036
Rwork	0.200
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.259
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	2.540
High resolution limit [Å]	2.490	2.490
Rmerge	0.093	0.326
Rpim	0.038	0.154
Number of reflections	38235	2465
<I/σ(I)>	19.1	4.4
Completeness [%]	98.8
Redundancy	6.2
CC(1/2)	0.997	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	2.2 M ammonium sulfate, 3% glycerol, 0.1 M arginine, 0.1 M Tris:HCl (pH 8.5)