6UFY

B. theta Bile Salt Hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	93
Detector technology	PIXEL
Collection date	2018-04-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	84.880, 92.320, 194.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.560 - 2.710
R-factor	0.2583
Rwork	0.256
R-free	0.29810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbc
RMSD bond length	0.002
RMSD bond angle	0.490
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.560	2.800
High resolution limit [Å]	2.710	2.710
Number of reflections	38728	3864
<I/σ(I)>	4.28
Completeness [%]	91.1
Redundancy	4.6
CC(1/2)	0.967	0.437

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	42% tacimate 100 mM Tris pH 7.4