3C27

Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Detector technology	CCD
Collection date	2002-06-07
Detector	BRUKER SMART 6000
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	70.854, 72.026, 72.987
Unit cell angles	90.00, 100.50, 90.00

Refinement procedure

Resolution	50.075 - 2.182
R-factor	0.176
Rwork	0.174
R-free	0.21500
RMSD bond length	0.009
RMSD bond angle	1.232
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	50.075
High resolution limit [Å]	2.182
Number of reflections	18406

Crystallization Conditions

crystal ID	method	pH	temperature	details
1