1ABI

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

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	71.440, 72.100, 73.070
Unit cell angles	90.00, 101.02, 90.00

Refinement procedure

Resolution	7.000 - 2.300
R-factor	0.132
RMSD bond length	0.018
RMSD bond angle	2.800
Refinement software	PROLSQ

Data quality characteristics

	Overall
Low resolution limit [Å]	2.500 *
High resolution limit [Å]	2.300 *
Rmerge	2.000 *
Total number of observations	59257 *
Number of reflections	12167 *
Completeness [%]	77.0 *

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	sodium phosphate	0.075 (M)
2	1	drop		0.19 (M)
3	1	drop	PEG	12 (%)
4	1	drop		1 (mM)
5	1	reservoir	sodium phosphate	0.1 (M)
6	1	reservoir	PEG	24 (%)
7	1	reservoir		1 (mM)
8	1	drop	protein complex	2.5 (mg/mL)