1SB1

Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Detector technology	AREA DETECTOR
Spacegroup name	C 1 2 1
Unit cell lengths	69.963, 71.495, 72.186
Unit cell angles	90.00, 100.15, 90.00

Refinement procedure

Resolution	20.000 - 1.900
Rwork	0.200
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.709
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.800
Number of reflections	31561
Completeness [%]	98.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1