1EQ9

CRYSTAL STRUCTURE OF FIRE ANT CHYMOTRYPSIN COMPLEXED TO PMSF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MAC Science DIP-2030
Spacegroup name	P 21 21 21
Unit cell lengths	61.120, 85.840, 97.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.209
Rwork	0.209
R-free	0.24200
RMSD bond length	0.005
RMSD bond angle	25.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	1.700 *
Rmerge	0.086 *	0.382 *
Total number of observations	386659 *
Number of reflections	57279 *
Completeness [%]	96.9 *	87.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5 *	18 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	reservoir	PIPES	0.1 (M)
3	1	reservoir	ammonium sulfate	1.6 (M)