5JBE

4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121 complexed with an isomalto-maltopentasaccharide

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	220.441, 58.324, 151.410
Unit cell angles	90.00, 114.25, 90.00

Refinement procedure

Resolution	46.160 - 2.100
R-factor	0.2079
Rwork	0.206
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID: 3KLK domains A B C IV
RMSD bond length	0.010
RMSD bond angle	1.336
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.160	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.126	0.818
Rmeas	0.145
Rpim	0.071
Total number of observations	406237
Number of reflections	102167
<I/σ(I)>	7.7
Completeness [%]	99.4	98.9
Redundancy	4	3.7
CC(1/2)	0.994

Crystallization Conditions

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