6RG2

Photorhabdus laumondii lectin PLL2 in complex with 3-O-methyl-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	P 1 21 1
Unit cell lengths	51.646, 56.708, 108.477
Unit cell angles	90.00, 95.33, 90.00

Refinement procedure

Resolution	44.840 - 1.120
R-factor	0.13766
Rwork	0.136
R-free	0.16099
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.575
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]	44.840	1.150
High resolution limit [Å]	1.120	1.120
Rmerge	0.072	0.768
Number of reflections	224157	16606
<I/σ(I)>	8.1	1.6
Completeness [%]	98.6	98.9
Redundancy	3.7	3.5
CC(1/2)	0.998	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	11% PEG 4000, 150 mM sodium acetate pH 4.6