2H9E

Crystal Structure of FXa/selectide/NAPC2 ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-07-09
Detector	MAR CCD 165 mm
Wavelength(s)	1.01
Spacegroup name	P 21 21 21
Unit cell lengths	48.945, 86.410, 145.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.330 - 2.200
R-factor	0.22209
Rwork	0.220
R-free	0.26832
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.142
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.170	2.260
High resolution limit [Å]	2.200	2.200
Number of reflections	32172
Completeness [%]	99.6	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	peg 8000, potassium dihydrogen phosphate, acetate ion, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K