6Q8H

Structure of Fucosylated D-antimicrobial peptide SB10 in complex with the Fucose-binding lectin PA-IIL at 1.707 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	2015-10-23
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000040
Spacegroup name	P 62 2 2
Unit cell lengths	131.522, 131.522, 49.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.722 - 1.707
R-factor	0.1686
Rwork	0.168
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oxc
RMSD bond length	0.007
RMSD bond angle	0.875
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.722	45.722	1.800
High resolution limit [Å]	1.707	5.400	1.710
Rmerge		0.023	2.222
Rmeas	0.090	0.024	2.309
Rpim	0.025	0.007	0.620
Number of reflections	27907	1014	3926
<I/σ(I)>	20.9	25.9	0.4
Completeness [%]	99.4	99.6	97.8
Redundancy	13.1	12.5	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	15% v/v Tacsimate pH 7.0, 0.1 M HEPES pH 7.0, 2% w/v Polyethylene glycol 3,350