1MFD

THE SOLUTION STRUCTURE OF A TRISACCHARIDE-ANTIBODY COMPLEX: COMPARISON OF NMR MEASUREMENTS WITH A CRYSTAL STRUCTURE

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	47.300, 129.300, 79.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 * - 2.100
R-factor	0.183
Rwork	0.183
RMSD bond length	0.013
RMSD bond angle	3.100
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.100 *
Rmerge	0.047 *
Total number of observations	86916 *
Number of reflections	24335 *
Completeness [%]	83.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *		drops were prepared by mixing 0.003 ml of Fab and 0.004 ml of well solution with 0.001 ml of triaccharide *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Fab	7.3 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		0.1 (M)
4	1	drop	trisaccharide	10 (mg/ml)
5	1	reservoir	PEG8000	15 (%)
6	1	reservoir	Tris-HCl	50 (mM)