1BTP

UNIQUE BINDING OF A NOVEL SYNTHETIC INHIBITOR, N-[3-[4-[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2-METHYL-2-PROPENOYL]-N-ALLYLGLYCINE METHANESULFONATE TO BOVINE TRYPSIN, REVEALED BY THE CRYSTAL STRUCTURE OF THE COMPLEX

Experimental procedure

Detector technology	IMAGE PLATE
Collection date	1993-11-22
Spacegroup name	P 21 21 21
Unit cell lengths	63.740, 63.080, 69.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 2.200
R-factor	0.176
Rwork	0.176
RMSD bond length	0.017
RMSD bond angle	3.231
Data reduction software	WISE
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Rmerge	0.068

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	acetic acid	50 (mM)
2	1	drop	trypsin	60 (mg/ml)
3	1	drop	N-[3-[4-[4[(amidinophenoxy)carbonyl]phenyl]-2-methyl-2-propenoyl]-N-allylglycine methanesulfonate	5 (mg/ml)
4	1	drop		2 (mg/ml)
5	1	drop	ammonium sulfate	0.8 (M)
6	1	reservoir	ammonium sulfate	1.7 (M)