5X8Z

Unique Choloylglycine Hydrolase(CGH) member from Shewanella loihica PV-4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-15
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.972400
Spacegroup name	I 1 2 1
Unit cell lengths	99.397, 52.337, 140.068
Unit cell angles	90.00, 103.81, 90.00

Refinement procedure

Resolution	89.430 - 1.500
R-factor	0.19135
Rwork	0.190
R-free	0.21616
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbc
RMSD bond length	0.025
RMSD bond angle	2.240
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	89.430
High resolution limit [Å]	1.500
Rmerge	0.060
Number of reflections	109332
<I/σ(I)>	13.8
Completeness [%]	97.6
Redundancy	3.5
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293.15	PEG 3350, sodium sulphate, 2-Methyl-2, 4-pentanediol