9T7G

XN-IL lectin from Xenorhabdus nematophila in complex with heparosan trisaccharide

This is a non-PDB format compatible entry.

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	2025-04-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	51.979, 77.053, 146.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.047 - 1.800
Rwork	0.194
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.584
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.047	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.108	1.460
Rmeas	0.112
Rpim	0.031	0.480
Number of reflections	55555	7960
<I/σ(I)>	13.4	1.2
Completeness [%]	99.9	99.6
Redundancy	13	9.9
CC(1/2)	0.999	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	278	MgSO4, MES, NaCl, ethylene glycol