3ZYB

CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALAG0 AT 2.3 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	2010-08-20
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	53.332, 128.559, 146.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.261 - 2.290
R-factor	0.2151
Rwork	0.214
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l7l
RMSD bond length	0.002
RMSD bond angle	0.691
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.070	2.430
High resolution limit [Å]	2.290	2.290
Rmerge	0.100	0.440
Number of reflections	45434
<I/σ(I)>	10	2.8
Completeness [%]	98.8	93.5
Redundancy	3.63	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		3.5		0.1 M CITRIC ACID PH 3.5 AND 25% W/V POLYETHYLENE GLYCOL 3350