5NGY

Crystal structure of Leuconostoc citreum NRRL B-1299 dextransucrase DSR-M

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	2016-02-15
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8729
Spacegroup name	P 21 21 21
Unit cell lengths	105.869, 128.810, 234.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.700
R-factor	0.19453
Rwork	0.192
R-free	0.23643
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lfc
RMSD bond length	0.007
RMSD bond angle	1.098
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.900
High resolution limit [Å]	3.700	3.700
Rmerge	0.195	0.528
Rpim	0.100	0.284
Number of reflections	34388	4910
<I/σ(I)>	3.6	1.4
Completeness [%]	98.3	97.3
Redundancy	4.3	4
CC(1/2)	0.980	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	285	20% PEG3350, 0.2M KSCN, 0.1 Pr(III)acetate, BIS-TRIS pH 6.5