4TLN

BINDING OF HYDROXAMIC ACID INHIBITORS TO CRYSTALLINE THERMOLYSIN SUGGESTS A PENTACOORDINATE ZINC INTERMEDIATE IN CATALYSIS

Experimental procedure

Experimental method	SINGLE CRYSTAL
Source type	ROTATING ANODE
Source details	ELLIOTT GX-3
Temperature [K]	285
Detector technology	FILM
Collection date	1980
Detector	KODAK
Spacegroup name	P 61 2 2
Unit cell lengths	94.200, 94.200, 131.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.169
Structure solution method	MOLECULAR SUBSTATUTION
RMSD bond length	0.045
RMSD bond angle	5.900
Data reduction software	VENUS
Data scaling software	ODPROC
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	26.600
High resolution limit [Å]	2.300
Rmerge	0.026
Number of reflections	12029

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	0.01 (M)
2	1	1	Tris acetate	0.01 (M)
3	1	1	dimethylsulfoxide	5 (%(v/v))