8QKW

Crystal structure of Levansucrase from Pseudomonas syringae in complex with a tetravalent iminosugar

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	120.090, 63.990, 67.990
Unit cell angles	90.00, 103.50, 90.00

Refinement procedure

Resolution	40.003 - 1.650
Rwork	0.155
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.904
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.100	66.100	1.690
High resolution limit [Å]	1.650	7.370	1.650
Rmerge	0.082	0.051	0.970
Rmeas	0.090	0.056	1.052
Number of reflections	59642	711	4378
<I/σ(I)>	12.87
Completeness [%]	98.6
Redundancy	6.54		6.67
CC(1/2)	0.998	0.997	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	296	21 % PEG 8000, 0.25 M sodium acetate, 0.1 M MES pH= 6.0