2FZZ

Factor Xa in complex with the inhibitor 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-(((3r)-3-hydroxy-1-pyrrolidinyl)methyl)-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	56.300, 72.500, 79.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.950 - 2.200
Rwork	0.256
R-free	0.29400
Structure solution method	MR
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	HKL-2000 ((DENZO))
Data scaling software	HKL-2000 ((SCALEPACK))
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	22.950
High resolution limit [Å]	2.200
Number of reflections	16059

Crystallization Conditions

crystal ID	method	pH	temperature	details
1