7SVI

Bile Salt Hydrolase C from Lactobacillus johnsonii

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	2020-10-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	58.066, 80.882, 324.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.290 - 1.450
R-factor	0.1833
Rwork	0.183
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hez
RMSD bond length	0.005
RMSD bond angle	0.792
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]	45.290	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.049	0.680
Rmeas	0.070	0.961
Rpim	0.050	0.680
Number of reflections	263785	22181
<I/σ(I)>	6.2	0.6
Completeness [%]	97.3	82.8
Redundancy	1.9	1.7
CC(1/2)	0.994	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium Citrate:HCl, pH 5.6, 10% (w/v) PEG 4000, 10% (v/v) isopropanol. Crystals formed in a 2:1 protein (10.3 mg/mL) to mother liquor ratio.