1G32

THROMBIN 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	1997-08-22
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	69.600, 70.900, 72.900
Unit cell angles	90.00, 100.40, 90.00

Refinement procedure

Resolution	17.120 - 1.900
R-factor	0.209 *
Rwork	0.209
R-free	0.28900
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNX (2000)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.900
Rmerge	0.057
Total number of observations	43458 *
Number of reflections	25611 *
<I/σ(I)>	8.3
Completeness [%]	92.2

Crystallization Conditions

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