1HQW

CRYSTAL STRUCTURE OF THE COMPLEX OF CONCANAVALIN A WITH A TRIPEPTIDE YPY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-11-20
Detector	RIGAKU RAXIS II
Spacegroup name	I 2 2 2
Unit cell lengths	62.630, 86.570, 89.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 * - 2.400
R-factor	0.175
Rwork	0.175
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010 *
RMSD bond angle	1.520 *
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.000	2.510
High resolution limit [Å]	2.400	2.400
Rmerge	0.057	0.135
Total number of observations	54634 *
Number of reflections	8950
<I/σ(I)>	47.3	3
Completeness [%]	91.3	80
Redundancy	5.1	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	25 *	Sodium phosphate, pH 5.45, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		0.35 (M)
2	1	drop	Tris-HCl	0.01 (M)	pH7.4
3	1	drop	protein	25 (mg/ml)
4	1	reservoir	sodium phosphate	2.2 (M)	pH5.45