1DIT

COMPLEX OF A DIVALENT INHIBITOR WITH THROMBIN

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	70.900, 72.200, 73.200
Unit cell angles	90.00, 100.90, 90.00

Refinement procedure

Resolution	7.000 - 2.300
R-factor	0.149 *
RMSD bond length	0.020
RMSD bond angle	0.035
Refinement software	PROLSQ

Data quality characteristics

	Overall
Low resolution limit [Å]	10.000
High resolution limit [Å]	2.300
Rmerge	0.061 *
Total number of observations	47817 *
Number of reflections	14238
Completeness [%]	75.0

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	1.8 (mg/ml)
2	1	drop	sodium phosphate	0.075 (M)
3	1	drop		0.19 (M)
4	1	drop	PEG8000	12 (%)
5	1	reservoir	sodium phosphate	0.1 (M)
6	1	reservoir	PEG8000	24 (%)