4LKF

Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with GalA-WKY at 1.64 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 43 2 2
Unit cell lengths	95.400, 95.400, 107.361
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.780 - 1.640
R-factor	0.1933
Rwork	0.192
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.061
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.780	1.740
High resolution limit [Å]	1.640	1.640
Number of reflections	112785
<I/σ(I)>	21.22	2.96
Completeness [%]	97.1	93.3
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	3.2M Sodium chloride, 0.1M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K