1G36

TRYPSIN INHIBITOR COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-09-09
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	63.100, 69.400, 63.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.174 *
Rwork	0.174
R-free	0.21600
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.810 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.900
Rmerge	0.069
Total number of observations	75541 *
Number of reflections	22243 *
<I/σ(I)>	9.6
Completeness [%]	97.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *			Skrzypczak-Jankun, E., (1991) J. Mol. Biol., 221, 1379. *