6RFZ

Photorhabdus laumondii lectin PLL2 in complex with D-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-23
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	I 1 2 1
Unit cell lengths	65.498, 71.099, 86.221
Unit cell angles	90.00, 103.95, 90.00

Refinement procedure

Resolution	45.640 - 1.800
R-factor	0.21156
Rwork	0.210
R-free	0.23497
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.192
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP (11.6.02)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.390	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.288	1.045
Number of reflections	35262	5132
<I/σ(I)>	3.4	1.5
Completeness [%]	99.0	98.8
Redundancy	3.8	3.9
CC(1/2)	0.903	0.452

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	8% PEG 4000, 150 mM sodium acetate pH 4.6