1THS

STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	72.280, 72.730, 73.560
Unit cell angles	90.00, 100.55, 90.00

Refinement procedure

Resolution	7.000 * - 2.200
R-factor	0.161
RMSD bond length	0.200
RMSD bond angle	5.000
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	2.200 *
Rmerge	0.037 *
Total number of observations	46652 *
Number of reflections	15771 *

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein complex	3 (mg/ml)
2	1	drop	sodium phosphate	0.075 (M)
3	1	drop		0.18 (M)
4	1	drop	PEG4000	12 (%)
5	1	drop		1 (mM)
6	1	reservoir	sodium phosphate	0.1 (M)
7	1	reservoir	PEG4000	24 (%)
8	1	reservoir		1 (mM)