6Y0W

Fucosylated antimicrobial linear peptide cFucRH46D in complex with the fucose binding lectin LecB from Pseudomonas aeruginosa at 2.1 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	2016-08-19
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.036790
Spacegroup name	P 61 2 2
Unit cell lengths	68.999, 68.999, 271.453
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.847 - 2.060
R-factor	0.1778
Rwork	0.175
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oxc
RMSD bond length	0.007
RMSD bond angle	0.796
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (v.1.11.1-2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.847	44.847	2.170
High resolution limit [Å]	2.060	6.510	2.060
Rmerge		0.018	0.927
Rmeas	0.067	0.020	0.993
Rpim	0.022	0.007	0.349
Total number of observations		8068	27867
Number of reflections	24853	968	3493
<I/σ(I)>	22	75.6	2.4
Completeness [%]	99.9	99.6	99.2
Redundancy	8.9	8.3	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	25% w/v Polyethylene glycol 1,500