1SCN

INACTIVATION OF SUBTILISIN CARLSBERG BY N-(TERT-BUTOXYCARBONYL-ALANYL-PROLYL-PHENYLALANYL)-O-BENZOL HYDROXYLAMINE: FORMATION OF COVALENT ENZYME-INHIBITOR LINKAGE IN THE FORM OF A CARBAMATE DERIVATIVE

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	76.500, 55.400, 53.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.191
RMSD bond length	0.010
RMSD bond angle	3.200
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	1.900 *
Rmerge	0.115 *
Total number of observations	38539 *
Number of reflections	17548 *
Completeness [%]	87.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *