5KXE

Wisteria floribunda lectin in complex with GalNAc(beta1-4)GlcNAc (LacdiNAc) at pH 4.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	76.584, 97.943, 149.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.090
R-factor	0.1822
Rwork	0.181
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kxc
RMSD bond length	0.010
RMSD bond angle	1.558
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	30.000	2.150
High resolution limit [Å]	2.090	4.780	2.090
Rmerge	0.145	0.038	0.774
Rmeas	0.156	0.041	0.833
Rpim	0.057	0.015	0.305
Total number of observations	502533
Number of reflections	67430
<I/σ(I)>	5.9
Completeness [%]	100.0	100	100
Redundancy	7.5	7.1	7.5
CC(1/2)		0.999	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	291.15	0.2 M Lithium Sulfate 0.1 M phosphate-citrate pH 4.2 20% (w/v) PEG 1000