1ABJ

STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF THE S' SUBSITES OF SUBSTRATES AND INHIBITORS

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	88.260, 68.020, 61.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.400
R-factor	0.144
RMSD bond length	0.017
RMSD bond angle	2.600
Refinement software	PROLSQ

Data quality characteristics

	Overall
Low resolution limit [Å]	2.500 *
High resolution limit [Å]	2.400 *
Rmerge	0.064 *
Number of reflections	10472 *
Completeness [%]	69.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.3 *	8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein complex	2.5 (mg/mL)
2	1	drop	sodium phosphate	0.075 (M)
3	1	drop		0.19 (M)
4	1	drop	PEG	12 (%)
5	1	drop		1 (mM)
6	1	reservoir	sodium phosphate	0.1 (M)
7	1	reservoir	PEG	24 (%)
8	1	reservoir		1 (mM)