7SVF

Bile salt hydrolase A from Lactobacillus gasseri with taurine bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	59.323, 153.548, 94.098
Unit cell angles	90.00, 105.81, 90.00

Refinement procedure

Resolution	45.000 - 2.050
Rwork	0.161
R-free	0.19590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hez
RMSD bond length	0.007
RMSD bond angle	0.793
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.067	0.296
Rmeas	0.096	0.418
Rpim		0.296
Number of reflections	100601	9994
<I/σ(I)>	6	2.3
Completeness [%]	99.4	99.4
Redundancy	1.9	1.9
CC(1/2)	0.994	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Potassium Sulfate, 20% (w/v) PEG 3350. Crystals formed in a 1:2 protein (9.55 mg/mL) to mother liquor ratio.