1LU2

DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH THE BLOOD GROUP A TRISACCHARIDE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1998-01
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	96.730, 108.000, 80.960
Unit cell angles	90.00, 124.67, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.191
Rwork	0.191
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fat
RMSD bond length	0.008
RMSD bond angle	1.530 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.910
High resolution limit [Å]	2.800	2.800
Rmerge	0.110	0.274
Total number of observations	39403 *
Number of reflections	14331
<I/σ(I)>	10.7	3.1
Completeness [%]	85.2	85.8
Redundancy	2.7	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.6		100 MM NACACO PH 6.6 15% (W/V) PEG-ME 5000 10 MM BLOOD GROUP A TRISACCHARIDE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.8 (mg/ml)
2	1	drop	trisaccharide	10 (mM)
3	1	reservoir	sodium cacodylate	100 (mM)
4	1	reservoir	mPEG5000	15 (%(w/v))