1DWC

CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS

Experimental procedure

Spacegroup name	P 43 21 2
Unit cell lengths	90.800, 90.800, 132.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 3.000
R-factor	0.15
RMSD bond length	0.014
RMSD bond angle	1.940
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	2.580 *
Rmerge	0.066 *
Total number of observations	21259 *
Number of reflections	11775 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	25 (%)
2	1	reservoir		200 (mM)
3	1	reservoir	HEPES	100 (mM)
4	1	reservoir	precipitant
5	1	drop	protein