9IB7

Tumor necrosis factor-like lectin PLTL from Photorhabdus laumondii in complex with Blood group B trisaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	81.823, 81.823, 112.777
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.474 - 1.500
Rwork	0.174
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.766
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.474	1.580
High resolution limit [Å]	1.500	1.500
Number of reflections	61937	8898
<I/σ(I)>	25.5	2.7
Completeness [%]	100.0	100
Redundancy	13.7
CC(1/2)	1.000	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.4	293.15	PEG1500, trisodium citrate