2BVR

Human thrombin complexed with fragment-based small molecules occupying the S1 pocket

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	70.322, 71.702, 72.539
Unit cell angles	90.00, 100.28, 90.00

Refinement procedure

Resolution	15.000 - 1.250
Rwork	0.210
R-free	0.22900
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.005
RMSD bond angle	1.300
Refinement software	CNX (2002)

Data quality characteristics

	Overall
Low resolution limit [Å]	15.000
High resolution limit [Å]	1.250
Rmerge	0.050
Number of reflections	97319
Completeness [%]	99.6
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1