1AIX

HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROVAL

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-10-15
Detector	RIGAKU RAXIS II
Spacegroup name	C 1 2 1
Unit cell lengths	69.910, 71.191, 71.889
Unit cell angles	90.00, 100.29, 90.00

Refinement procedure

Resolution	20.000 - 2.100
Rwork	0.170
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.063	0.243
Number of reflections	20222
<I/σ(I)>	18	4.7
Completeness [%]	99.5	97.5
Redundancy	3.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7 *	277	Bode, W., (1989) EMBO J., 8, 3467. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG6000	16 (%)
2	1	1	phosphate	0.2 (M)