2XBX

Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-12-05
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	105.780, 105.780, 50.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.960 - 1.850
R-factor	0.195
Rwork	0.195
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN HOUSE
RMSD bond length	0.011
RMSD bond angle	1.700
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	CNS (2000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.950
High resolution limit [Å]	1.840	1.840
Rmerge	0.120	0.570
Number of reflections	24993
<I/σ(I)>	17.6	6
Completeness [%]	98.7	92.8
Redundancy	19.3	16.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		PH 6.5