1A5G

HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	273
Detector technology	IMAGE PLATE
Collection date	1996-10-15
Detector	RIGAKU
Spacegroup name	C 1 2 1
Unit cell lengths	70.810, 72.250, 72.790
Unit cell angles	90.00, 100.80, 90.00

Refinement procedure

Resolution	7.000 - 2.060
R-factor	0.158 *
Rwork	0.158
RMSD bond length	0.019
RMSD bond angle	0.043
Data reduction software	R-AXIS (II)
Data scaling software	R-AXIS (II)
Refinement software	PROFFT

Data quality characteristics

	Overall
High resolution limit [Å]	2.100
Rmerge	0.072
Number of reflections	18339
Completeness [%]	81.0
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.3		Skrzypczak, J., (1991) J. Mol. Biol., 221, 1379. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.0-3.7 (mg/ml)
2	1	drop	sodium phosphate	0.05 (M)
3	1	drop		0.375 (M)
4	1	drop		0.5 (mM)
5	1	reservoir	sodium phosphate	0.1 (M)
6	1	reservoir		1-2 (mM)
7	1	reservoir	PEG8000	25-30 (%(v/v))