5LFC

Crystal structure of Leuconostoc citreum NRRL B-1299 N-terminally truncated 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	2015-07-09
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8726
Spacegroup name	P 21 21 21
Unit cell lengths	105.840, 128.710, 229.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	114.670 - 3.200
R-factor	0.2226
Rwork	0.221
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aib
RMSD bond length	0.009
RMSD bond angle	1.207
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	114.670	49.233	3.370
High resolution limit [Å]	3.200	10.120	3.200
Rmerge		0.048	0.453
Number of reflections	51658
<I/σ(I)>	8.8	13.6	1.7
Completeness [%]	98.7	98	98.4
Redundancy	5.2	4.4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	PEG 3350 20%, 0.1M BIS-TRIS pH 6.5, 0.4M KSCN