6S5R

Cfucosylated second generation peptide dendrimer SBD6 bound to Fucose binding Lectin LecB (PA-IIL) from Pseudomonas aeruginosa at 2.08 Angstrom resolution, incomplete structure

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	2017-09-23
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000033
Spacegroup name	P 61 2 2
Unit cell lengths	91.003, 91.003, 315.583
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.036 - 2.076
R-factor	0.2067
Rwork	0.205
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oxc
RMSD bond length	0.013
RMSD bond angle	1.161
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.036	2.086
High resolution limit [Å]	2.076	2.076
Rmeas	0.200	2.080
Number of reflections	88116	13946
<I/σ(I)>	7.17	0.76
Completeness [%]	99.6	98.2
Redundancy	5.2	4.8
CC(1/2)	0.998	0.217

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	0.2 M Potassium sodium tartrate tetrahydrate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 2.0 M Ammonium sulfate