2BXU

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 BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Spacegroup name	C 1 2 1
Unit cell lengths	70.505, 71.917, 72.522
Unit cell angles	90.00, 100.35, 90.00

Refinement procedure

Resolution	20.000 - 2.800
Rwork	0.235
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]	2.800
Rmerge	0.050
Number of reflections	8499
Completeness [%]	97.0
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1