4LJH

Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with 1-Methyl-3-indolyl-b-D-galactopyranoside at 1.45 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	49.600, 68.200, 159.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 1.450
R-factor	0.1906
Rwork	0.190
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zye
RMSD bond length	0.005
RMSD bond angle	1.009
Data reduction software	MOSFLM
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.404
High resolution limit [Å]	1.450	1.450
Number of reflections	181878
Completeness [%]	98.1	98.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.1M Sodium acetate trihydrate, 3.0M Sodium chloride, pH 4.5), VAPOR DIFFUSION, SITTING DROP, temperature 293K