6RGG

Photorhabdus laumondii lectin PLL2 in complex with O-methylated PGL-1-derived disaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	68.304, 89.347, 68.401
Unit cell angles	90.00, 101.35, 90.00

Refinement procedure

Resolution	67.030 - 2.200
R-factor	0.20019
Rwork	0.199
R-free	0.22356
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.430
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP (11.4.06)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.030	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.096	0.922
Number of reflections	40910	5878
<I/σ(I)>	5.1	1.1
Completeness [%]	99.8	99.8
Redundancy	3.8	3.8
CC(1/2)	0.993	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	12.5% PEG 4000, 0.1 M sodium acetate pH 4.6