4GC1

Crystal structure of the bacteriocin LLPA from pseudomonas sp. in complex with Man alpha(1-2)Man

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	298
Detector technology	CCD
Collection date	2007-11-09
Detector	MAR CCD 165 mm
Wavelength(s)	0.8081
Spacegroup name	P 21 21 2
Unit cell lengths	149.474, 153.140, 33.956
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.699 - 2.080
R-factor	0.1601
Rwork	0.158
R-free	0.20010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m7h
RMSD bond length	0.011
RMSD bond angle	1.256
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.700	2.150
High resolution limit [Å]	2.080	2.080
Rmerge	0.076	0.402
Number of reflections	48078
<I/σ(I)>		2.84
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M imidazole pH 6.5, 1.3 M sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K