1F0S

Crystal Structure of Human Coagulation Factor XA Complexed with RPR208707

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1998-03-07
Detector	MAC Science DIP-2000
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	55.660, 71.580, 78.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.2162
Rwork	0.216
R-free	0.26280
RMSD bond length	0.008
RMSD bond angle	27.314 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (98.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.084	0.217 *
Number of reflections	17166
Completeness [%]	90.5	68.6 *
Redundancy		3.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	19 *	18-22%PEG 600, 50mM Mes-NaOH, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	MES-NaOH	5 (mM)
3	1	drop		5 (mM)
4	1	drop	unit	0.001 (mM)
5	1	reservoir	PEG600	18-20 (%)
6	1	reservoir	MES- NaOH	50 (mM)