8Q82

Photorhabdus laumondii lectin PLL4 in complex with alpha-methyl-fucoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	70.013, 82.859, 70.300
Unit cell angles	90.00, 105.36, 90.00

Refinement procedure

Resolution	41.464 - 1.950
Rwork	0.205
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.414
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.280	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.045	0.231
Rmeas	0.048	0.251
Rpim	0.018	0.098
Number of reflections	56507	8229
<I/σ(I)>	21.7	6.8
Completeness [%]	99.9
Redundancy	6.9
CC(1/2)	1.000	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	20% PEG4000 20% PEG300 300 mM MgCl2 100 mM MES