1P0S

Crystal Structure of Blood Coagulation Factor Xa in Complex with Ecotin M84R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-03
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	I 2 2 2
Unit cell lengths	66.839, 108.050, 186.305
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.207
Rwork	0.207
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	25.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.093	0.549
Number of reflections	16994 *
<I/σ(I)>	11.2	2.7
Completeness [%]	92.9	85.1
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	298	PEG 3350, sodium potassium tartrate, sodium chloride, magnesium chloride, glycerol, MPD , pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.4 (mg/ml)
2	1	reservoir	PEG3350	20 (%)
3	1	reservoir	sodium potassium tartrate	0.2 (M)	pH7.1