8AOO

Fucosylated mixed-chirality linear peptide FHP31 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.2 Angstrom resolution.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-13
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000023
Spacegroup name	P 1 21 1
Unit cell lengths	52.777, 62.670, 64.407
Unit cell angles	90.00, 93.19, 90.00

Refinement procedure

Resolution	44.880 - 1.180
R-factor	0.1281
Rwork	0.127
R-free	0.15140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oxc
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.880	1.190
High resolution limit [Å]	1.180	1.180
Rmeas	0.044	0.465
Number of reflections	235325	15432
<I/σ(I)>	20.68	2.48
Completeness [%]	86.5	35
Redundancy	1.16
CC(1/2)	0.999	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.2 M Ammonium acetate, 0.1 M HEPES pH 7.5, 25% w/v polyethylene glycol 3350