8AIY

STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide (4i)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	C 2 2 21
Unit cell lengths	71.909, 76.495, 184.306
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.076 - 1.550
Rwork	0.142
R-free	0.16590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a3o
RMSD bond length	0.015
RMSD bond angle	1.717
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.080	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.082	0.557
Rmeas	0.092	0.092
Rpim	0.041	0.272
Number of reflections	711298	36020
<I/σ(I)>	13.57	3.43
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.998	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	28% PEG 8K, 200 mM (NH4)2SO4, 100 mM tris