9BEF

Structure of S1_8B, a lambda-carrageenan specific sulfatase, in complex with an oligosaccharide

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	2020-12-01
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541
Spacegroup name	P 21 21 21
Unit cell lengths	80.314, 102.743, 190.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.903 - 2.100
R-factor	0.1832
Rwork	0.181
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.909
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	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.110	0.237
Rpim	0.041	0.213
Number of reflections	91025	5165
<I/σ(I)>	19
Completeness [%]	99.2
Redundancy	5.8
CC(1/2)	0.996	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	24% PEG 4000, 0.2 M ammonium sulfate, 0.1 M Na citrate:HCl (pH 5.6)