5JBD

4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-04
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8729
Spacegroup name	C 1 2 1
Unit cell lengths	219.244, 57.852, 150.701
Unit cell angles	90.00, 114.75, 90.00

Refinement procedure

Resolution	45.830 - 1.800
R-factor	0.17883
Rwork	0.177
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 3KLK domains A B C IV
RMSD bond length	0.009
RMSD bond angle	1.263
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.830	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.080	0.808
Number of reflections	158306
<I/σ(I)>	10.2	1.6
Completeness [%]	99.4	97.1
Redundancy	4.3	4.3
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	PEG3350, NaCl, (NH4)2SO4