5JBF

4,6-alpha-glucanotransferase GTFB (D1015N mutant) from Lactobacillus reuteri 121 complexed with maltopentaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-16
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8729
Spacegroup name	C 1 2 1
Unit cell lengths	219.484, 58.139, 150.382
Unit cell angles	90.00, 114.36, 90.00

Refinement procedure

Resolution	48.020 - 2.190
R-factor	0.1959
Rwork	0.194
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 3KLK domains A B C IV
RMSD bond length	0.011
RMSD bond angle	1.455
Data reduction software	XDS
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.020	2.230
High resolution limit [Å]	2.190	2.190
Rmerge	0.061	0.354
Number of reflections	80800
<I/σ(I)>	8.2
Completeness [%]	90.3	90.5
Redundancy	2.2	2.2
CC(1/2)	0.996

Crystallization Conditions

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