6HHM

Crystal structure of the family S1_7 ulvan-specific sulfatase FA22070 from Formosa agariphila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978570
Spacegroup name	P 21 21 21
Unit cell lengths	47.733, 66.153, 141.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.239 - 1.230
R-factor	0.1359
Rwork	0.135
R-free	0.15290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fql
RMSD bond length	0.010
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.370	1.300
High resolution limit [Å]	1.230	1.230
Rmerge	0.040	0.398
Rmeas	0.045	0.448
Rpim	0.020	0.203
Number of reflections	131006	18927
<I/σ(I)>	16.7	3.2
Completeness [%]	100.0	100
Redundancy	4.8	4.7
CC(1/2)	0.999	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM MIB pH 5.0 25 % PEG 1,500