7SVE

Bile Salt Hydrolase A from Lactobacillus acidophilus

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	84.561, 92.953, 87.057
Unit cell angles	90.00, 107.22, 90.00

Refinement procedure

Resolution	46.480 - 2.150
R-factor	0.1527
Rwork	0.151
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hez
RMSD bond length	0.007
RMSD bond angle	0.885
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]	46.480	2.220
High resolution limit [Å]	2.150	2.150
Rmerge	0.055	0.323
Rmeas	0.078	0.457
Rpim	0.055	0.323
Number of reflections	68775	6798
<I/σ(I)>	10.5	2.7
Completeness [%]	98.1	97.4
Redundancy	1.8	1.8
CC(1/2)	0.996	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.15 M DL-Malic Acid, pH 7.0, 20% (w/v) PEG 3350. Crystals formed in a 2:1 protein (11.6 mg/mL):mother liquor ratio.