2B8O

Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor VIIa/Soluble Tissue Factor Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Detector technology	CCD
Collection date	2003-04-07
Detector	ADSC QUANTUM 4
Wavelength(s)	1.725
Spacegroup name	P 21 21 21
Unit cell lengths	70.280, 81.110, 126.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.800
R-factor	0.225
Rwork	0.225
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.200
Rmerge	0.170
Number of reflections	20351
Completeness [%]	90.0

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