7GCH

STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS

Experimental procedure

Spacegroup name	P 42 21 2
Unit cell lengths	69.300, 69.300, 97.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.19
RMSD bond length	0.020
RMSD bond angle	0.043
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	1.800 *
Number of reflections	12613 *
Completeness [%]	57.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.6 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	gamma-chymotrypsin	15 (mg/ml)
2	1	1	sodium cacodylate	10 (mM)
3	1	1	cetyltrimethylammonium bromide	0.75 (%sat)
4	1	1	ammonium sulfate	44 (%sat)
5	1	2	ammonium sulfate	70-75 (%sat)