4YW7

Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.91956
Spacegroup name	P 1
Unit cell lengths	49.570, 89.310, 100.010
Unit cell angles	90.04, 89.83, 79.61

Refinement procedure

Resolution	16.034 - 1.820
R-factor	0.1809
Rwork	0.179
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	OKO1
RMSD bond length	0.006
RMSD bond angle	0.842
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.009	16.034	1.920
High resolution limit [Å]	1.820	5.760	1.820
Rmerge		0.053	0.337
Rmeas	0.112
Rpim	0.067	0.038	0.241
Total number of observations	322703	11171	49457
Number of reflections	134652
<I/σ(I)>	6	11.4	2.4
Completeness [%]	89.0	89.2	88.4
Redundancy	2.4	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	291	0.1 M Citric acid, 3.0 M sodium chloride