8Q7U

Photorhabdus laumondii lectin PLL 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	2022-10-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	I 2 2 2
Unit cell lengths	71.217, 89.184, 158.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.555 - 1.600
Rwork	0.163
R-free	0.17960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.679
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.555	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.084	1.003
Rpim	0.024	0.288
Number of reflections	66905	9679
<I/σ(I)>	18.6	2.8
Completeness [%]	100.0	100
Redundancy	13.5	12.9
CC(1/2)	0.999	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	277	20 mM Tris/HCl 150 mM NaCl