6Y0X

Fucosylated antimicrobial peptide SB6 in complex with the lectin LecRSL from Ralstonia solanacearum at 2.4 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	2018-07-06
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000031
Spacegroup name	P 41 21 2
Unit cell lengths	100.510, 100.510, 271.653
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.100 - 2.425
R-factor	0.2446
Rwork	0.243
R-free	0.27980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ajc
RMSD bond length	0.008
RMSD bond angle	1.045
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (v1.11.1-2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.100	2.437
High resolution limit [Å]	2.425	2.425
Rmeas	0.382	3.369
Number of reflections	100762	16188
<I/σ(I)>	2.39	1.01
Completeness [%]	99.8	99.2
Redundancy	6.7	6.3
CC(1/2)	0.991	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1 M Tris pH 8.5, 2.0 M Ammonium sulfate