2BMG

Crystal structure of factor Xa in complex with 50

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-13
Temperature [K]	100
Detector technology	CCD
Collection date	2000-10-20
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	57.000, 72.300, 78.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.700
Rwork	0.193
R-free	0.27740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lpg
RMSD bond length	0.009
RMSD bond angle	1.332
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNX
Refinement software	CNX (2000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.090	0.220
Number of reflections	9120
<I/σ(I)>	12	5.4
Completeness [%]	98.0	84
Redundancy	3.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	298	PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K