6S5S

Cfucosylated second generation peptide dendrimer SBD8 bound to Fucose binding Lectin LecB (PA-IIL) from Pseudomonas aeruginosa at 1.43 Angstrom resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-07-06
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000033
Spacegroup name	P 6 2 2
Unit cell lengths	106.297, 106.297, 57.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.517 - 1.433
R-factor	0.1636
Rwork	0.163
R-free	0.17850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oxc
RMSD bond length	0.017
RMSD bond angle	1.564
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.517	1.440
High resolution limit [Å]	1.433	1.433
Rmeas	0.170	0.207
Number of reflections	66042	10408
<I/σ(I)>	14.8	0.73
Completeness [%]	99.5	99.7
Redundancy	17.1	5.5
CC(1/2)	0.999	0.247

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M BIS-TRIS pH 6.5, 3.0 M Sodium chloride