2P16

Factor Xa in Complex with the Inhibitor APIXABAN (BMS-562247) AKA 1-(4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3, 4-C]PYRIDINE-3-CARBOXAMIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-04-01
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	56.400, 72.800, 79.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.440 - 2.300
R-factor	0.232
Rwork	0.229
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1FJS WITHOUT INHIBITOR AND SOLVENT
RMSD bond length	0.008
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]	19.440
High resolution limit [Å]	2.300
Number of reflections	15116

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	277	200 mM Sodium Acetate, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K, pH 5.5