8Q80

Photorhabdus laumondii lectin PLL2 in complex with alpha-methyl-fucoside

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)	0.9799
Spacegroup name	P 1 21 1
Unit cell lengths	68.160, 85.676, 68.188
Unit cell angles	90.00, 102.06, 90.00

Refinement procedure

Resolution	66.683 - 1.850
Rwork	0.197
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.305
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.680	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.057	0.630
Rmeas	0.066	0.729
Rpim	0.033	0.363
Number of reflections	64783	9343
<I/σ(I)>	11.4	2.3
Completeness [%]	99.1	98.5
Redundancy	3.9	3.9
CC(1/2)	0.999	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	100 mM sodium acetate 11% PEG 4000