6HR5

Structure of the S1_25 family sulfatase module of the rhamnosidase FA22250 from Formosa agariphila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 1 21 1
Unit cell lengths	52.879, 48.871, 92.651
Unit cell angles	90.00, 105.64, 90.00

Refinement procedure

Resolution	44.609 - 2.912
R-factor	0.3237
Rwork	0.322
R-free	0.36080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.005
Data reduction software	XDS (January 26, 2018)
Data scaling software	Aimless (7.0.063)
Phasing software	MOLREP (7.0.063)
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.870	3.090
High resolution limit [Å]	2.910	2.910
Rmerge	0.256	1.163
Rmeas	0.277	1.257
Rpim	0.105	0.471
Number of reflections	10211	1605
<I/σ(I)>	7	2.2
Completeness [%]	99.6	97.9
Redundancy	6.9	6.9
CC(1/2)	0.982	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	25% PEG 2000MME 0.1M MES pH6.5