6UST

Gut microbial sulfatase from Hungatella hathewayi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	93.911, 114.668, 188.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.700 - 2.600
R-factor	0.1614
Rwork	0.159
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bia
RMSD bond length	0.008
RMSD bond angle	0.925
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.700	2.661
High resolution limit [Å]	2.590	2.596
Number of reflections	60399	5721
<I/σ(I)>	8.91
Completeness [%]	92.9
Redundancy	3.9
CC(1/2)	0.993	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	10 mg/mL protein 0.2 M Potassium fluoride 20 % (w/v) PEG 3350