2AER

Crystal Structure of Benzamidine-Factor VIIa/Soluble Tissue Factor complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Detector technology	CCD
Collection date	1999-06-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	69.900, 81.200, 125.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.870
R-factor	0.191
Rwork	0.191
R-free	0.25600
Structure solution method	Isomorphous Replacement
Starting model (for MR)	PDB Code: 1DAN
RMSD bond length	0.011
RMSD bond angle	1.690
Data reduction software	MOSFLM
Data scaling software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	99.000
High resolution limit [Å]	1.870
Rmerge	0.050
Number of reflections	58300
Completeness [%]	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	Tris, Sodium Chloride, Calcium Chloride, PEG 4000, ADA, Magnesium Chloride, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K