7SVK

Bile Salt Hydrolase from Lactobacillus reuteri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	C 2 2 2
Unit cell lengths	140.260, 176.682, 42.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.200 - 1.660
R-factor	0.202
Rwork	0.201
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hez
RMSD bond length	0.006
RMSD bond angle	0.850
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.200	1.720
High resolution limit [Å]	1.660	1.660
Rmerge	0.037	1.282
Rmeas	0.053	1.813
Rpim	0.037	1.282
Number of reflections	62633	6177
<I/σ(I)>	10.7	0.7
Completeness [%]	99.7	99
Redundancy	2	2
CC(1/2)	0.999	0.414

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M Bis-Tris Propane:HCl, pH 7.0, 1.5 M Ammonium Sulfate. Crystals formed in 2:1 ratio protein (13.3 mg/mL) to mother liquor.