4YWA

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	2013-10-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00003
Spacegroup name	P 1
Unit cell lengths	40.770, 72.320, 78.710
Unit cell angles	117.23, 105.00, 89.94

Refinement procedure

Resolution	23.736 - 1.192
R-factor	0.1867
Rwork	0.186
R-free	0.20350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oko
RMSD bond length	0.011
RMSD bond angle	1.389
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]	66.968	23.736	1.260
High resolution limit [Å]	1.190	3.770	1.190
Rmerge		0.032	0.995
Rmeas	0.077
Rpim	0.042	0.021	0.701
Total number of observations	724110	24391	90126
Number of reflections	229498
<I/σ(I)>	6.8	20.3	1.1
Completeness [%]	94.0	98.7	89.3
Redundancy	3.2	3.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	1.5 M ammonium sulfate