9T4Y

apo form of XN-IL lectin from Xenorhabdus nematophila

This is a non-PDB format compatible entry.

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	2023-10-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	50.826, 76.695, 148.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.137 - 1.560
Rwork	0.171
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.728
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.140	1.640
High resolution limit [Å]	1.560	1.560
Rmerge	0.192	1.164
Rmeas	0.200
Number of reflections	83546	12041
<I/σ(I)>	2.56	2.8
Completeness [%]	100.0	99.9
Redundancy	13.1	13.1
CC(1/2)	0.997	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	MgSO4, MES pH 6.5, Ethylene glycol, PEG 400