5KXB

Wisteria floribunda lectin in complex with GalNAc

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 2
Unit cell lengths	121.191, 157.269, 55.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.330
R-factor	0.1864
Rwork	0.184
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xtm
RMSD bond length	0.011
RMSD bond angle	1.558
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.390
High resolution limit [Å]	2.320	5.300	2.320
Rmerge	0.083	0.040
Rmeas	0.089	0.043
Rpim	0.035	0.016	0.444
Total number of observations	327129
Number of reflections	45331
<I/σ(I)>	7.6
Completeness [%]	99.8	99.7	100
Redundancy	7.2	7	7.3
CC(1/2)		0.998	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291.15	0.2 M CaCl2, 0.1 M Bis-Tris pH 5.5, 45% (v/v) MPD