5J50

Structure of tetrameric jacalin complexed with Gal beta-(1,3) GalNAc-alpha-OPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-08-12
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	58.530, 81.650, 66.890
Unit cell angles	90.00, 100.00, 90.00

Refinement procedure

Resolution	51.270 - 2.050
R-factor	0.187
Rwork	0.182
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ku8
RMSD bond length	0.019
RMSD bond angle	2.021
Data reduction software	iMOSFLM (1.0.5)
Data scaling software	SCALA
Phasing software	PHASER (2.3)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.270	2.150
High resolution limit [Å]	2.040	2.040
Rmerge		0.309
Number of reflections	39076
<I/σ(I)>		4.3
Completeness [%]		91.3
Redundancy		4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	15% poly(ethylene glycol) 8000, 10% (v/v) isopropanol, 100mM HEPES (pH 7.4)