4LK6

Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with Chlorophenol Red-b-D-galactopyranoside at 2.86 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	2011-10-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	89.068, 150.829, 185.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.920 - 2.859
R-factor	0.2369
Rwork	0.235
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zye
RMSD bond length	0.001
RMSD bond angle	0.510
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]	48.927
High resolution limit [Å]	2.859	2.860
Rmerge		0.720
Number of reflections	109598
<I/σ(I)>		2.19
Completeness [%]	97.7	90.2
Redundancy		3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.4M Sodium malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K