1K1I

BOVINE TRYPSIN-INHIBITOR COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1999-06-15
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	54.904, 58.876, 67.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.165
Rwork	0.165
RMSD bond length	0.007
RMSD bond angle	25.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.111	0.345
Total number of observations	44039 *
Number of reflections	11422
<I/σ(I)>	8.7	3.6
Completeness [%]	98.6	99.8
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.3 *	20 *	ammonium sulfate, peg8000, imidazole, pH 7, VAPOR DIFFUSION, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.5 (mg/ml)
2	1	reservoir	PEG4000	24-30 (%)
3	1	reservoir	sodium phosphate	0.1 (M)	pH7.3