4TMN

SLOW-AND FAST-BINDING INHIBITORS OF THERMOLYSIN DISPLAY DIFFERENT MODES OF BINDING. CRYSTALLOGRAPHIC ANALYSIS OF EXTENDED PHOSPHONAMIDATE TRANSITION-STATE ANALOGUES

Experimental procedure

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	0.17
RMSD bond length	0.023
RMSD bond angle	16.500 *
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	1.700 *
Rmerge	0.042 *
Total number of observations	58214 *
Number of reflections	28875 *

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))