5KXD

Wisteria floribunda lectin in complex with GalNAc(beta1-4)GlcNAc (LacdiNAc) at pH 6.5

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	79.096, 104.271, 148.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.950
R-factor	0.1798
Rwork	0.179
R-free	0.19810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kxc
RMSD bond length	0.011
RMSD bond angle	1.566
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	25.000	2.010
High resolution limit [Å]	1.950	4.460	1.950
Rmerge	0.173	0.035
Rmeas	0.185	0.037
Rpim	0.089	0.014	0.508
Total number of observations	669044
Number of reflections	89308
<I/σ(I)>	5.7
Completeness [%]	99.3	99.9	98.6
Redundancy	7.5	7.1	7.6
CC(1/2)		0.998	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291.15	0.1 M NaAc 0.1 M MES pH 6.5 30% (w/v) PEG 400