2BVX

Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS
Synchrotron site	SLS
Temperature [K]	100
Spacegroup name	C 1 2 1
Unit cell lengths	71.004, 71.711, 72.646
Unit cell angles	90.00, 100.75, 90.00

Refinement procedure

Resolution	20.000 - 3.200
Rwork	0.219
R-free	0.30600
Structure solution method	OTHER
RMSD bond length	0.005
RMSD bond angle	1.130
Refinement software	CNX (2002)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	3.200
Rmerge	0.050
Number of reflections	5981
<I/σ(I)>	12
Completeness [%]	82.6
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1