2G00

Factor Xa in complex with the inhibitor 3-(6-(2'-((dimethylamino)methyl)-4-biphenylyl)-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)benzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-03-05
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	56.600, 72.400, 78.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 2.100
Rwork	0.269
R-free	0.28400
Structure solution method	MR
RMSD bond length	0.013
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.920	8.000	2.140
High resolution limit [Å]	2.100	5.170	2.100
Rmerge	0.085	0.058	0.348
Number of reflections	18375	913	915
<I/σ(I)>	4.8		2.5
Completeness [%]	96.7		98.3
Redundancy	4.1		3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1
1