1HYT

RE-DETERMINATION AND REFINEMENT OF THE COMPLEX OF BENZYLSUCCINIC ACID WITH THERMOLYSIN AND ITS RELATION TO THE COMPLEX WITH CARBOXYPEPTIDASE A

Experimental procedure

Experimental method	SINGLE CRYSTAL
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	MULTIWIRE AREA DETECTOR
Detector	XUONG-HAMLIN
Spacegroup name	P 61 2 2
Unit cell lengths	93.691, 93.691, 131.503
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.157
Structure solution method	MOLECULAR SUBSTITUTION
RMSD bond length	0.015
RMSD bond angle	1.900
Data reduction software	XENGEN ((HOWARD)
Data scaling software	XENGEN ((HOWARD)
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	1.700 *
Rmerge	0.045 *
Number of reflections	35931 *
Completeness [%]	94.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.2		Holmes, M.A., (1982) J.Mol.Biol., 160, 623. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		2.5 (M)
2	1	2	calcium acetate	0.01 (M)
3	1	2	Tris	0.01 (M)
4	1	2	dimethylsulphoxide	7 (%(v/v))