1EZQ

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR128515

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1998-04-30
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	56.196, 71.922, 78.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.208
Rwork	0.208
R-free	0.26700
RMSD bond length	0.007
RMSD bond angle	1.300
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.061	0.236
Number of reflections	15689
<I/σ(I)>	12.1
Completeness [%]	93.9	91.8
Redundancy	2.7	2.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	19 *	18-20% PEG 600, 50mM Mes-NaOH, 1mM RPR128515, 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)