1GG6

CRYSTAL STRUCTURE OF GAMMA CHYMOTRYPSIN WITH N-ACETYL-PHENYLALANINE TRIFLUOROMETHYL KETONE BOUND AT THE ACTIVE SITE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	113
Detector technology	AREA DETECTOR
Collection date	1998-11-29
Detector	SIEMENS
Spacegroup name	P 42 21 2
Unit cell lengths	69.190, 69.190, 95.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.400
R-factor	0.175 *
Rwork	0.175
R-free	0.21200
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	XDS
Phasing software	XCALIBRE
Refinement software	X-PLOR (3.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.027	0.118
Number of reflections	45082 *
Completeness [%]	91.4	75.8
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	ammonium sulfate, potassium phosphate, pH 7.0, vapor diffusion, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	75 (%sat)
2	1	reservoir	potassium phosphate	10 (mM)