7NEF

Fucosylated linear peptide Fln65 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.5 Angstrom resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-02
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	74.467, 64.300, 118.926
Unit cell angles	90.00, 94.91, 90.00

Refinement procedure

Resolution	48.590 - 1.510
R-factor	0.1833
Rwork	0.182
R-free	0.20600
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]	48.591	1.600
High resolution limit [Å]	1.507	1.510
Rmeas	0.117	0.933
Number of reflections	336482	50384
<I/σ(I)>	8.23	0.12
Completeness [%]	96.9	89.8
Redundancy	3.18	2.36
CC(1/2)	0.997	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Magnesium formate dihydrate