3TMN

THE BINDING OF L-VALYL-L-TRYPTOPHAN TO CRYSTALLINE THERMOLYSIN ILLUSTRATES THE MODE OF INTERACTION OF A PRODUCT OF PEPTIDE HYDROLYSIS

Experimental procedure

Experimental method	SINGLE CRYSTAL
Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	285
Detector technology	FILM
Collection date	1988
Detector	KODAK
Spacegroup name	P 61 2 2
Unit cell lengths	94.100, 94.100, 131.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.700
R-factor	0.173
Structure solution method	MOLECULAR SUPSTATUTION
RMSD bond length	0.016
RMSD bond angle	3.200
Data reduction software	OSCTST
Data scaling software	AGROVATA/ROTAVATE
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	29.800
High resolution limit [Å]	1.700
Rmerge	0.049
Total number of observations	45350 *
Number of reflections	28779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.2		pH 7.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	calcium acetate	10 (mM)
2	1	1	Tris	10 (mM)
3	1	1	dimethylsulfoxide	7 (%(v/v))