7P38

4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	107.354, 134.495, 147.886
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.240 - 2.700
R-factor	0.2618
Rwork	0.260
R-free	0.29870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Obtained from Phyre homology modeling
RMSD bond length	0.007
RMSD bond angle	1.160
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0210)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.240	47.240	2.770
High resolution limit [Å]	2.695	11.750	2.700
Rmerge	0.255	0.088	1.191
Rmeas	0.273	0.094	1.270
Rpim	0.094	0.032	0.434
Number of reflections	59781	822	4540
<I/σ(I)>	6.1
Completeness [%]	99.9	98.7	99
Redundancy	8.2	7.4	8.3
CC(1/2)	0.955	0.997	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.4-1.7 M (NH4)2SO4, 0.1 M Bis-Tris-HCl, pH 5.5