7SVJ

Bile Salt Hydrolase from Lactobacillus ingluviei

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	2021-06-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	I 1 2 1
Unit cell lengths	90.636, 43.810, 155.060
Unit cell angles	90.00, 99.36, 90.00

Refinement procedure

Resolution	42.120 - 1.430
Rwork	0.177
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hez
RMSD bond length	0.005
RMSD bond angle	0.821
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]	42.120	1.480
High resolution limit [Å]	1.430	1.430
Rmerge	0.040	0.979
Rmeas	0.057	1.384
Rpim	0.040	0.979
Number of reflections	108742	10677
<I/σ(I)>	8.5	0.8
Completeness [%]	97.5	95.9
Redundancy	1.9	1.9
CC(1/2)	0.999	0.413

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Calcium Acetate Hydrate, 0.1M Tris:HCl pH 7.0, 20% (w/v) PEG 3000. Crystals formed in a 1:2 protein (13.8 mg/mL) to mother liquor ratio.