3ZYF

CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH NPG AT 1.9 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-05-11
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	84.562, 84.562, 163.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.284 - 1.944
R-factor	0.1867
Rwork	0.185
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oko
RMSD bond length	0.003
RMSD bond angle	0.722
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]	48.280	2.060
High resolution limit [Å]	1.940	1.940
Rmerge	0.090	0.390
Number of reflections	44306
<I/σ(I)>	12	3.5
Completeness [%]	99.5	97.4
Redundancy	6.4	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		4.0 M SODIUM FORMATE., pH 7.5