1QBV

CRYSTAL STRUCTURE OF THROMBIN COMPLEXED WITH AN GUANIDINE-MIMETIC INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	1995-05-01
Detector	RIGAKU RAXIS II
Spacegroup name	C 1 2 1
Unit cell lengths	70.900, 71.800, 72.700
Unit cell angles	90.00, 100.52, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.193
Rwork	0.193
RMSD bond length	0.010
RMSD bond angle	26.317
Phasing software	X-PLOR
Refinement software	X-PLOR (98.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	1.880
High resolution limit [Å]	1.800	1.800
Rmerge	0.083 *	0.091
Number of reflections	26244
<I/σ(I)>	12.2
Completeness [%]	85.8	60.4
Redundancy	5.2	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	277.15	Skrzypczak-Jankun, E., (1991) J. Mol. Biol., 221, 1379. *