1IHT

CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN ALPHA-THROMBIN AND NON-HYDROLYZABLE BIFUNCTIONAL INHIBITORS, HIRUTONIN-2 AND HIRUTONIN-6

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	71.100, 72.200, 72.800
Unit cell angles	90.00, 100.60, 90.00

Refinement procedure

Resolution	8.000 * - 2.100
R-factor	0.162
Rwork	0.162
RMSD bond length	0.012
RMSD bond angle	2.800
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.100 *
Rmerge	0.042 *
Total number of observations	80671 *
Number of reflections	20612 *
Completeness [%]	92.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5 *	18 *	drop contained 0.003ml of protein solution mixed with 0.004ml of well solution. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8-10 (mg/ml)
2	1	reservoir	sodium citrate	0.1 (M)
3	1	reservoir	PEG4000	24 (%)
4	1	reservoir		100 (mM)