1AVU

TRYPSIN INHIBITOR FROM SOYBEAN (STI)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	DIFFRACTOMETER
Collection date	1993-03
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 21 21 21
Unit cell lengths	39.420, 58.080, 96.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.198
Rwork	0.198
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tie
RMSD bond length	0.012
RMSD bond angle	1.400
Data reduction software	FS (SCALING)
Data scaling software	FSSCALE
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.000 *	2.300
High resolution limit [Å]	2.100	2.100
Rmerge	0.045
Total number of observations	27868 *
Number of reflections	10234
Completeness [%]	76.0	26.7
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *	7.5		Lee, J., (1993) Mol. Cells, 3, 335. *